Molecule Details

Molecular Properties
SMILES:
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12
MW: 338.363
Fraction sp3: 0.16
HBA: 4
HBD: 2
Rotatable Bonds: 6
TPSA: 80.42
cLogP: 2.3455
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z30450892
Enamine Extended REAL: s_22____58494____59160
Mcule: MCULE-4274089916
MolPort: MolPort-028-825-688
Activity Data
IC50 (µM) - Fluorescence: 7.23400398630335
IC50 (µM) - RapidFire: 3.46159502371821
Trypsin IC50 (µM): 99.0
pIC50 (µM) - Fluorescence 5.14062125625603
Average Inhibition @ 20 µM - Fluorescence: 83.736015
Average Inhibition @ 50 µM - Fluorescence: 92.667755
Average Inhibition @ 20 µM - RapidFire: 70.0575
Average Inhibition @ 50 µM - RapidFire: 83.785
Relative Solubility @ 20 µM: 0.99
Relative Solubility @ 100 µM: 0.96
Order Status
Shipped: 2020-04-17

Aliphatic long chain

COc1ccc(Cl)cc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

ALP-POS-05819dc4-1
0.722

View
COc1c(Cl)cccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

ALP-POS-3fc1724e-1
0.700

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cc(F)ccc12

MAT-POS-590ac91e-32
0.696

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccc(Cl)cc12

MAT-POS-590ac91e-42
0.688

View
O=C(NCCOc1ccccc1)c1cc(=O)[nH]c2ccccc12

BEN-DND-7e92b6ca-5
0.662

View
O=C(NCCOc1cccc2c1CCCC2)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-1
0.621

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(OC)c12

EDJ-MED-6af13d92-3
0.617

View
COc1ccccc1OCC(CC(C)C)NC(=O)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-6
0.614

View
COc1ccccc1OCCN(C)C(=O)c1cc(=O)[nH]c2ccccc12

BEN-DND-7e92b6ca-2
0.605

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(C)c12

EDJ-MED-6af13d92-1
0.595

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(F)c12

EDJ-MED-6af13d92-2
0.595

View
COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

DAR-DIA-8e329c92-4
0.588

View
O=C(NCCOc1cccc2c1OCCC2)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-2
0.570

View
COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)N1CCC1

DAR-DIA-8e329c92-5
0.562

View
COc1ccccc1OCCNC(=O)c1cc(O)cc2ccccc12

DAR-DIA-8e329c92-3
0.561

View
O=C(NCCOc1cccc(Oc2cccc(=O)[nH]2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-15
0.560

View
COc1ccccc1OCCNC(=O)c1cc(N)cc2ccccc12

DAR-DIA-8e329c92-2
0.554

View
O=C1CC(Oc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-13
0.543

View
COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)N1CCCCC1

DAR-DIA-8e329c92-7
0.538

View
O=C1CCC(Oc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-14
0.538

View
O=C(NCCOc1cccc(Oc2cccnc2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-16
0.538

View
COc1ccccc1OCCNC(=O)c1c(C#N)c(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-25
0.534

View
COc1ccccc1OCCNC(=O)c1cc(N)nc2ccccc12

DAR-DIA-8e329c92-1
0.529

View
O=C(NCCNc1ccccc1)c1cc(=O)[nH]c2ccccc12

BEN-DND-7e92b6ca-4
0.525

View
COc1ccccc1O[C@H]1CC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-4
0.517

View
O=C1CC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-17
0.516

View
O=C1CC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ALP-POS-3fc1724e-2
0.516

View
O=C1CCC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-18
0.515

View
CN(CCNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1

BEN-DND-7e92b6ca-3
0.512

View
COc1ccccc1OCC(CN1CCOCC1)NC(=O)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-8
0.510

View
COc1ccccc1OCCNC(=O)c1cc[nH]c(=O)c1

BEN-DND-7e92b6ca-1
0.506

View
COc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

ADA-UCB-b1b30a00-2
0.505

View
O=C(NCCOc1cc(Cl)cc(Oc2cccc(=O)[nH]2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-19
0.505

View
O=C(NCCOc1cc(Cl)cc(Oc2cccnc2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-20
0.500

View
COc1cccc(NCNC(=O)c2cc(=O)[nH]c3ccccc23)c1

DAR-DIA-8e329c92-10
0.500

View
Cn1c(=O)n(CCNC(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc21

ADA-UCB-b1b30a00-1
0.494

View
COc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-3
0.489

View
O=C(NCCc1cccc2ccccc12)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-9
0.488

View
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc12

DAR-DIA-8e329c92-11
0.452

View
COc1ccccc1OCC(C)NC(=O)c1cc(=O)[nH]c2ccc(F)cc12

MAT-POS-590ac91e-41
0.447

View
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)c2c1CCCC2

DAR-DIA-8e329c92-12
0.439

View
COc1ccccc1OCCN(C)C(=O)c1cc(=O)[nH]c2ccc(Cl)cc12

MAT-POS-590ac91e-43
0.436

View
COc1ccccc1OCC(C)NC(=O)c1cc(=O)[nH]c2cc(F)ccc12

MAT-POS-590ac91e-40
0.432

View
COc1ccccc1OCCN(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12

MAT-POS-590ac91e-37
0.426

View
CN1CCCc2c(S(N)(=O)=O)ccc(CCNC(=O)c3cc(=O)[nH]c4ccccc34)c21

DAR-DIA-8e329c92-13
0.415

View
COc1ccccc1N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1

BEN-DND-7e92b6ca-13
0.413

View
CC1(C)Cc2cccc(OCCNC(=O)c3cc(=O)[nH]c4cc(F)ccc34)c2O1

MAT-POS-590ac91e-46
0.410

View
CC1(C)Cc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccc(F)cc34)c2O1

MAT-POS-590ac91e-47
0.410

View
CC1(C)Cc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccc(Cl)cc34)c2O1

MAT-POS-590ac91e-53
0.406

View
COc1ccccc1OC(C)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12

MAT-POS-590ac91e-38
0.402

View
COc1ccccc1OC(C)CNC(=O)c1cc(=O)[nH]c2ccc(F)cc12

MAT-POS-590ac91e-39
0.402

View
COc1ccccc1OC[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-8
0.398

View
CN1CCN(c2ccc(NC(=O)c3cc(=O)[nH]c4ccccc34)cc2)CC1

KRI-MAR-d2e3ef86-15
0.394

View
O=C(COc1cccc(Cl)c1)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

JAN-GHE-82a280f8-3
0.384

View
O=C(Nc1ccccc1N1CCCCC1)c1cc(=O)[nH]c2ccccc12

KRI-MAR-d2e3ef86-12
0.383

View
O=C(CCc1cccc(Cl)c1)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

JAN-GHE-82a280f8-2
0.370

View
O=C(c1ccccc1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1

BEN-DND-7e92b6ca-6
0.364

View
COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1

KRI-MAR-d2e3ef86-13
0.354

View
COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1

BEN-DND-7e92b6ca-11
0.354

View
COc1cccc(CCN(C(=O)c2cc(=O)[nH]c3ccccc23)c2cccc(Cl)c2)c1

ALP-POS-ddb41b15-4
0.352

View
COc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1

BEN-DND-7e92b6ca-12
0.347

View
COc1cc(Cl)cc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1F

ALP-POS-3fc1724e-4
0.346

View
COc1ccccc1CO[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-11
0.339

View
O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc21

DAR-DIA-53551c05-22
0.337

View
COc1ccc(Cl)cc1CC(=O)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-e1b5ac6b-2
0.337

View
COc1ccc(Cl)cc1CC(=O)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-3b92565d-4
0.337

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1

BEN-DND-7e92b6ca-7
0.333

View
O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2cc(Br)ccc21

DAR-DIA-53551c05-20
0.330

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccc(F)cc2)CC1

BEN-DND-7e92b6ca-14
0.330

View
O=C1CN(c2cccc(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12

JAN-GHE-82a280f8-1
0.327

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2cccc(F)c2)CC1

BEN-DND-7e92b6ca-15
0.327

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1

BEN-DND-7e92b6ca-16
0.326

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

KRI-MAR-d2e3ef86-5
0.326

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

BEN-DND-7e92b6ca-10
0.326

View
CN(C)c1cncc(CN(C(=O)c2cc(=O)[nH]c3ccccc23)c2cccc(Cl)c2)c1

ALP-POS-ddb41b15-3
0.324

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCn2ccnc2C1

BEN-DND-7e92b6ca-9
0.323

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1

MAT-POS-916a2c5a-4
0.323

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1

EDJ-MED-78f964c8-1
0.323

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2F)CC1

ALP-POS-3fc1724e-3
0.320

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

KRI-MAR-d2e3ef86-4
0.317

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

MAT-POS-916a2c5a-3
0.317

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CC2CC1CN2c1ccccc1

MAK-UNK-df1a028e-3
0.316

View
Cc1ccncc1NC(=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ALP-POS-ddb41b15-2
0.315

View
Cc1ccncc1NC(=O)C(C(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ALP-POS-ddb41b15-1
0.315

View
COc1ccccc1CN[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-10
0.315

View
O=C(NCc1cc(=O)[nH]c2ccccc12)c1cncnc1

MAR-TRE-92684b97-53
0.312

View
COc1cc(Cl)cc(CC(=O)Nc2cc(=O)[nH]c3ccccc23)c1

MAT-POS-3b92565d-5
0.310

View
Cc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

KRI-MAR-d2e3ef86-7
0.310

View
O=C(Cc1cccc(Cl)c1)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-e1b5ac6b-1
0.309

View
O=C(N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1

LON-WEI-1908424e-9
0.303

View
O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2cc(-c3cccc(Cl)c3)ccc21

DAR-DIA-53551c05-17
0.302

View
O=C(NCC1COc2ccccc2O1)c1cc(=O)[nH]c2ccc(F)cc12

MAT-POS-590ac91e-30
0.302

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2cccc3ccccc23)CC1

KRI-MAR-d2e3ef86-6
0.301

View
Cc1ccncc1NC(=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1cc(Cl)cc(N(C)C)c1

ALP-POS-ddb41b15-10
0.301

View
COc1cccc2c1OCC(NC(=O)c1cc(=O)[nH]c3ccc(F)cc13)C2

MAT-POS-590ac91e-35
0.300

View
COc1ccc(Cl)cc1N1C(=O)CN(Cc2cc(=O)[nH]c3ccccc23)C1=O

JAG-UCB-c37fbdcd-2
0.296

View
O=C1CC(Oc2cccc(N3CCN(C(=O)c4cc(=O)[nH]c5ccccc45)CC3)c2)N1

ERI-UCB-ce40166b-21
0.294

View
O=C(NCC1COc2ccccc2O1)c1cc(=O)[nH]c2cc(F)ccc12

MAT-POS-590ac91e-31
0.292

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CC3CC2CN3C(=O)c2cc(=O)[nH]c3ccccc23)c1C

MAK-UNK-df1a028e-2
0.290

View
COc1cccc2c1OCC(NC(=O)c1cc(=O)[nH]c3cc(F)ccc13)C2

MAT-POS-590ac91e-36
0.288

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.696

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.696

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(=O)[NH]C2=CC=C([N+](=O)[O-])C=C12

0.675

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(=O)[NH]C2=C(Br)C=CC=C12

0.627

View
COC1=CC=CC=C1OCCNC(=O)C1=C[NH]C2=CC=CC=C2C1=O

0.585

View
COC1=CC=CC=C1OCCCNC(=O)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.581

View
COC1=CC=CC=C1OCCCNC(=O)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.581

View
COC1=CC=CC=C1OCCNC(=O)C1=C(Br)C2=CC=CC=C2[NH]1

0.575

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC2=C1[NH]C1=CC=CC=C1C2=O

0.575

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(Br)=CC2=CC=CC=C12

0.573

View
COC1=CC=CC=C1OCCNC(=O)C1=C(C)[NH]C2=CC=CC=C12

0.568

View
COC1=CC=CC=C1OCCNC(=O)C1=C(Cl)C2=CC=CC=C2[NH]1

0.568

View
COC1=CC=CC=C1OCCCNC(=O)C1=CC(=O)[NH]C2=CC=C([N+](=O)[O-])C=C12

0.567

View
COC1=CC=CC=C1OCCNC(=O)C1=CC2=CC=CC=C2[NH]C1=O

0.566

View
COC1=CC=CC=C1OCCNC(=O)C1=C[NH]C(=O)C=C1C

0.550

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(=O)N(C)C2=CC=CC=C12

0.548

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=C2[NH]C3=CC=CC=C3C(=O)C2=C1

0.545

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC2=CC=CC=C12

0.537

View
COC1=CC=CC=C1OCCNC(=O)C1=C[NH]C(=O)C2=CC=CC=C12

0.537

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(=O)[NH]C2=C1CCCC2

0.535

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1O

0.533

View
COC1=CC=CC=C1OCCNC(=O)C1=N[NH]C2=CC=CC=C12

0.531

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC2=C1C=C[NH]2

0.530

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(Cl)=NC2=CC=CC=C12

0.529

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(C)=NC2=CC=CC=C12

0.529

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(O)=NC2=CC=CC=C12

0.529

View
COC1=CC=CC=C1OCCNC(=O)C1=CC2=CC=CC=C2C(=O)[NH]1

0.529

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1OC

0.527

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=C(OC)C2=CC=CC=C12

0.525

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=C(C)[NH]C1=O

0.525

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=C(F)C2=CC=CC=C12

0.524

View
COC1=CC=CC=C1OCCNC(=O)C1=COC2=CC=CC=C12

0.524

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=C2C=CC=CC2=C1O

0.524

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(C)=C(C)[NH]C1=O

0.524

View
COC1=CC=CC=C1OCCNC(=O)C1=CC2=CC=CC=C2[NH]1

0.524

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=C2C(C)=CC(=O)[NH]C2=C1

0.523

View
COC1=CC=CC=C1OCCCNC(=O)C1=CC(=O)[NH]C2=C(Br)C=CC=C12

0.522

View
COC1=C(OC)C=C(C(=O)NCCOC2=CC=CC=C2OC)C(OC)=C1

0.519

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1I

0.519

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(=O)[NH]C(Cl)=C1

0.519

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=C(C(F)(F)F)[NH]C1=O

0.518

View
COC1=CC=CC=C1OCCNC(=O)C1=N[NH]C2=CC=CC=C2C1=O

0.518

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1Cl

0.513

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1C

0.513

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(F)=CC=C1OC

0.513

View
COC1=CC=CC=C1OCCNC(=O)C1=C(C)C(OC)=CC=C1

0.513

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC(OC)=C1OC

0.513

View
COC1=CC=CC=C1OCCNC(=O)C1=CC2=CC=CC=C2C=C1OC

0.512

View
CCC1=CC(C(=O)NCCOC2=CC=CC=C2OC)=CC(=O)[NH]1

0.512

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC2=C1OC(=O)[NH]2

0.512

View
COC1=CC=CC=C1OCCNC(=O)NNC(=O)C1=C[NH]C2=CC=CC=C12

0.512

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1C(C)=O

0.506

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1F

0.506

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1N

0.506

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(Cl)=C(Cl)C=C1OC

0.506

View
COC1=CC=CC=C1OCCNC(=O)C1=CN=CC2=CC=CC=C12

0.506

View
COC1=CC=CC=C1OCCNC(=O)C1=CN(C)C(=O)C2=CC=CC=C12

0.506

View
O=C(NCCOC1=CC=CC=C1F)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.506

View
O=C(NCCOC1=CC=CC=C1F)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.506

View
CC1=CC=CC=C1OCCNC(=O)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.506

View
CC1=CC=CC=C1OCCNC(=O)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.506

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(F)=C(F)C=C1F

0.500

View
COC1=CC=CC=C1OCCNC(=O)C1=CSC2=CC=CC=C12

0.500

View
COC1=CC=CC=C1OCCNC(=O)C1=CN(C)C2=CC=CC=C12

0.500

View
COC1=CC=CC=C1OCCNC(=O)C1=CC2=C(F)C=CC=C2[NH]1

0.500

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC(=O)[NH]1

0.500

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=C(C)C=C1C

0.500

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=NC2=CC=CC=C12

0.500

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1Br

0.500

View
O=C(NCCOC1=CC=CC2=CC=CC=C12)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.495

View
O=C(NCCOC1=CC=CC2=CC=CC=C12)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.495

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC2=C1[NH]C(C)=C2C

0.494

View
CCN1C=C(C(=O)NCCOC2=CC=CC=C2OC)C2=CC=CC=C21

0.494

View
CCCC1=CC(C(=O)NCCOC2=CC=CC=C2OC)=CC(=O)[NH]1

0.494

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(Cl)=C(F)C=C1Cl

0.494

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1C(F)(F)F

0.494

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(F)=C(F)C(F)=C1F

0.494

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC(F)=C1F

0.494

View
CCOC1=CC=CC=C1C(=O)NCCOC1=CC=CC=C1OC

0.494

View
COC1=CC=CC=C1OCCNC(=O)C1=CSC(=O)[NH]1

0.494

View
COCCOC1=CC=CC=C1C(=O)NCCOC1=CC=CC=C1OC

0.494

View
O=C(NCCOC1=CC=CC=C1Cl)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.489

View
O=C(NCCOC1=CC=CC=C1Cl)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.489

View
COC1=CC=CC=C1OCCNC(=O)C1=CC2=CC=CC=C2C(=O)O1

0.488

View
COC1=CC=CC=C1OCCNC(=O)C1=C(F)C(OC)=CC=C1

0.487

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1OC(C)C

0.487

View
COC1=CC=CC=C1OCCCNC(=O)C1=C[NH]C2=CC=CC=C2C1=O

0.483

View
COC1=CC=CC=C1OCCNC(=O)C1=CC(F)=C(F)C=C1Cl

0.482

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=CC=C1

0.480

View
COC1=CC=CC=C1OCCCNC(=O)C1=CC=CC2=C1[NH]C1=CC=CC=C1C2=O

0.479

View
COC1=CC=CC=C1OCCNC(=O)C1=CC2=CC=CC=C2C2=CC=CN=C12

0.478

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=C(Cl)N=C1Cl

0.470

View
COC1=CC=CC=C1OCCNC(=O)C1=CC=C(Cl)C2=CC=CN=C12

0.467

View
COC1=CC=CC=C1OCCCNC(=O)C1=CC2=CC=CC=C2[NH]C1=O

0.467

View
COC1=CC=CC=C1OCC(C)CNC(=O)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.463

View
COC1=CC=CC=C1OCC(C)CNC(=O)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.463

View
COC1=CC=CC=C1OCCNC(=O)C1=C2C=CC=CC2=NN1C

0.455

View
COC1=CC=CC=C1OCCCNC(=O)C1=CC(=O)N(C)C2=CC=CC=C12

0.451

View
COC1=CC=CC=C1OCCNC(=O)C1=C(C)N(C)C2=CC=CC=C12

0.438

View
COC1=CC=CC=C1OCCCNC(=O)C1=CC=CC2=C1C=C[NH]2

0.433

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

1.000

View
COCCNC(=O)c1cc(=O)[nH]c2ccccc12

0.696

View
Cc1ccc(OCCNC(=O)c2cc(=O)[nH]c3ccccc23)cc1

0.649

View
COC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12

0.560

View
COC(CNC(=O)c1cc(=O)[nH]c2ccccc12)OC

0.553

View
COc1ccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)cc1

0.531

View
OC(CNC(=O)c1cc(=O)[nH]c2ccccc12)COc1ccccc1

0.466

View
O=C(NCC1COc2ccccc2O1)c1cc(=O)[nH]c2ccccc12

0.435

View
O=C(Nc1ccc(OCCN2CCCC2)cc1)c1cc(=O)[nH]c2ccccc12

0.398

View
CN(CC1COc2ccccc2O1)C(=O)c1cc(=O)[nH]c2ccccc12

0.371

View
O=C(N1CCOCC1)c1cc(=O)[nH]c2ccccc12

0.345

View
Clc1ccc(OCCN2CCN(CC2)C(=O)c2cc(=O)[nH]c3ccccc23)cc1

0.327

View
CCc1cccc(OC2CN(C2)C(=O)c2cc(=O)[nH]c3ccccc23)c1

0.324

View
CCN(CCOc1cccc(OC)c1)C(=O)c1cc(=O)[nH]c2ccc(C)cc12

0.295

View
CN(CCOc1cc(C)ccc1C)C(=O)c1cc(=O)[nH]c2ccc(F)cc12

0.292

View
CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cc(=O)[nH]c2ccc(F)cc12

0.279

View
COc1ccccc1OC1CN(C1)C(=O)c1cc(=O)n(C)c2ccccc12

0.262

View
Cc1ccc2[nH]c(=O)cc(C(=O)N3CC(C3)Oc3ccccc3C)c2c1

0.257

View
C(NCCOC1=C(OC)C=CC=C1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.918

View
C(NCCOC1=C(OC)C=CC=C1)(=O)C1C2C(=NC=CC=2)C=CC=1

0.892

View
C(NCCOC1=C(OC)C=CC=C1)(=O)C1=C2C(NC=C2)=CC=C1

0.862

View
C(N(CCOC1=C(OC)C=CC=C1)C)(=O)C1C2C(=CC=CC=2)N=CC=1

0.861

View
C(NCCOC1=C(OC)C=CC=C1)(=O)C1C2=C(C=CC=C2)N=C(OC)C=1

0.855

View


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