Molecule Details

Molecular Properties
SMILES:
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr
MW: 339.189
Fraction sp3: 0.29
HBA: 3
HBD: 3
Rotatable Bonds: 5
TPSA: 78.43
cLogP: 0.9114
Covalent Warhead:
Covalent Fragment:

triple bond

Filter9_metal

Long aliphatic chain

Dipeptide

CS(=O)(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-10
0.629

View
CC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)NCC#CBr

NIC-BIO-7d400292-1
0.615

View
CC(=O)NC(Cc1ccc(O[C@H](C)[C@H](NC(C)=O)C(=O)NCC#CBr)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-27
0.600

View
CC(=O)NC(Cc1ccc(OC2CS(=O)(=O)C2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-28
0.600

View
CS(=O)(=O)NCCc1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)NCC#CBr)cc1

MAK-UNK-c44f4be0-14
0.589

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc(Br)cc1

NIC-BIO-a68395b7-5
0.587

View
CC(=O)NC(Cc1ccc(Oc2ccccn2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-29
0.575

View
O=C(NCC#CBr)C(Cc1ccc(O)cc1)NC(=O)S(=O)(=O)NCCc1ccccc1

MAK-UNK-c44f4be0-9
0.573

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc(Cl)cc1

NIC-BIO-a68395b7-3
0.562

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc(C#N)cc1

NIC-BIO-a68395b7-2
0.561

View
CS(=O)(=O)NCC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr)c1ccccc1

MAK-UNK-c44f4be0-11
0.558

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-63
0.545

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-fffca54f-96
0.545

View
O=C(CS(=O)(=O)NCCc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-8
0.544

View
CS(=O)(=O)NCCc1ccccc1C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-3
0.531

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC1CCN(C)CC1

NIC-BIO-a68395b7-1
0.529

View
CS(=O)(=O)NCCc1cccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)NCC#CBr)c1

MAK-UNK-c44f4be0-4
0.524

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(Cl)c1

NIC-BIO-a68395b7-4
0.522

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

MAR-TRE-e86a56b5-58
0.509

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(C(=O)CCl)CC1

NIM-UNI-ed9fc491-2
0.500

View
CC(=O)NC(Cc1ccc(OC2CCN(Cc3ccsc3)CC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-11
0.500

View
CC(=O)NC(Cc1ccc(OCC2(c3ccccn3)CCCC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-30
0.488

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCN1CCN(C(=O)CCl)CC1

NIM-UNI-ed9fc491-1
0.486

View
CC(=O)NC(Cc1ccc(OC2CCCN(Cc3ccccc3)C2C)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-26
0.477

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NOCC(F)(F)C(F)F

VOL-CHA-d666e5ae-2
0.471

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C#CBr)S(=O)(=O)NCCc1ccccc1

MAK-UNK-c44f4be0-7
0.469

View
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#CBr

NIC-BIO-3276ca7f-2
0.467

View
CC(=O)NC(CC(N)=O)C(=O)NCC#CBr

AAR-POS-d2a4d1df-43
0.467

View
CC(=O)NC(Cc1ccc(O)c(S(=O)(=O)NCCc2ccccc2)c1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-1
0.465

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)CN1CCCC1

VOL-CHA-d666e5ae-4
0.465

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1

TRY-UNI-9f475305-11
0.465

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cccc(C#N)c1

TRY-UNI-9f475305-10
0.459

View
CC(=O)NC(Cc1ccc(OCC2CN(Cc3ccccc3)CCO2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-18
0.457

View
CC(=O)NC(Cc1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-25
0.454

View
CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCC#CBr

NIC-BIO-3276ca7f-1
0.449

View
CC(=O)NC(Cc1ccc(O)cc1S(=O)(=O)NCCc1ccccc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-2
0.448

View
CC(=O)N[C@@H](Cc1c[nH]c2cccc(OC(C)=O)c12)C(=O)NCC#CBr

NIC-BIO-b40446ce-1
0.444

View
COc1cccc2[nH]cc(C[C@H](NC(C)=O)C(=O)NCC#CBr)c12

NIC-BIO-3276ca7f-3
0.432

View
C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-47
0.429

View
CC(=O)NC(Cc1ccc(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-3
0.424

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(c1ccccc1)N1CCN(C(=O)CCl)CC1

NIM-UNI-ed9fc491-3
0.410

View
CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-31
0.409

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)N(C)c1nccs1

VOL-CHA-d666e5ae-3
0.405

View
O=C(CCl)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-45
0.397

View
NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-62
0.397

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)O

MAT-POS-59e2c5d7-1
0.393

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)O

AAR-POS-d2a4d1df-42
0.393

View
CC(=O)NC(C(=O)NCC#CBr)C(c1ccc(O)cc1)S(=O)(=O)NCCc1ccccc1

MAK-UNK-c44f4be0-5
0.388

View
NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1

MAR-TRE-e86a56b5-69
0.382

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CN1CCN(C(=O)CCl)CC1)c1ccccc1

NIM-UNI-ed9fc491-4
0.382

View
COc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)cc1

MAR-TRE-e86a56b5-46
0.380

View
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-98
0.379

View
N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

MAR-TRE-e86a56b5-99
0.375

View
NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

MAR-TRE-e86a56b5-56
0.375

View
O=C(Nc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-66
0.371

View
CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-81
0.368

View
CC(=O)NC(Cc1ccc(O)cc1)c1nnc(C(C)C)o1

VOL-CHA-d666e5ae-5
0.361

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CN1CC2CC1CN2C(=O)CCl)c1ccccc1

MAK-UNK-10799360-26
0.358

View
O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccco1

MAR-TRE-e86a56b5-67
0.357

View
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1

MAR-TRE-e86a56b5-55
0.356

View
COc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1

MAR-TRE-e86a56b5-64
0.354

View
O=C(O)C(Cc1ccc(O)cc1)Nc1cncnc1

MAR-TRE-85681e92-70
0.348

View
CC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)NCc1ccc(Cl)cc1

NIC-BIO-7d400292-2
0.342

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)Oc1ccccn1

MAK-UNK-1bb0b7ee-7
0.342

View
CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-68b48d12-12
0.341

View
CC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O

MAR-TRE-e86a56b5-49
0.338

View
COC(=O)C(Cc1ccc(O)cc1)Nc1cncnc1

MAR-TRE-85681e92-51
0.338

View
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccco1

MAR-TRE-e86a56b5-73
0.338

View
CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-68b48d12-4
0.333

View
CC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O

MAR-TRE-e86a56b5-90
0.333

View
CC(=O)NC(Cc1ccc(O)cc1)(C(=O)NCC#CBr)S(=O)(=O)NCCc1ccccc1

MAK-UNK-c44f4be0-6
0.333

View
O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1

MAR-TRE-e86a56b5-19
0.333

View
CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-68b48d12-2
0.330

View
Cn1ccn(CC(=O)NC(Cc2ccc(O)cc2)C(=O)O)c1=[Au+]Cl

MAR-TRE-4f39ef4a-25
0.329

View
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(C)=O

MAR-TRE-e86a56b5-83
0.328

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OC1CCN(Cc2ccsc2)CC1

MAK-UNK-a7992eb3-14
0.326

View
CC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)NCC1CCN(C)CC1

NIC-BIO-7d400292-4
0.326

View
O=C(O)[C@@H](Cc1ccc(O)cc1)N[C@@H]1CCS(=O)(=O)C1

MAR-TRE-e86a56b5-28
0.324

View
CC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)NCc1cccc(Cl)c1

NIC-BIO-7d400292-3
0.321

View
C[C@@](O)(C#Cc1ccccc1)CN[C@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-97
0.321

View
C=C(CC)COC(=O)C(Cc1ccc(O)cc1)NC(=O)CC(C)C

VOL-CHA-d666e5ae-1
0.312

View
CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-a5f8a8b9-2
0.312

View
NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1

MAR-TRE-e86a56b5-36
0.312

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OC1CS(=O)(=O)C1

MAK-UNK-1bb0b7ee-10
0.312

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)OCC1(c2ccccn2)CCCC1

MAK-UNK-1bb0b7ee-3
0.311

View
NS(=O)(=O)NCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccsc1)c1ccccc1

CHA-KIN-bfe9b535-1
0.302

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)OC1CCCN(Cc2ccccc2)C1C

MAK-UNK-1bb0b7ee-13
0.302

View
C[C@@H]1CC(=O)N([C@H](Cc2ccc(O)cc2)C(=O)O)C1=O

MAR-TRE-e86a56b5-21
0.301

View
O=C(O)[C@@H](Cc1ccc(O)cc1)n1cnnn1

MAR-TRE-e86a56b5-39
0.300

View
CC(Cc1ccsc1)NC(=O)NCC(Cc1ccc(O)cc1)N(C)C

MAR-UCB-195bc32d-14
0.298

View
CCC(=O)N[C@H](Cc1ccccc1)C(=O)NCCN(C)C

JUA-UNI-b93289a4-6
0.297

View
CC(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)O

MAR-TRE-e86a56b5-54
0.293

View
Cn1ccn(C(Cc2ccc(O)cc2)C(=O)O)c1=[Au+]Cl

MAR-TRE-4f39ef4a-40
0.293

View
CCOC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(C)=O

MAR-TRE-e86a56b5-9
0.292

View
Cn1cc(Cl)c(NC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CNS(N)(=O)=O)c2ccccc2)n1

CHA-KIN-bfe9b535-4
0.291

View
Cc1nn(C)c(NC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CNS(N)(=O)=O)c2ccccc2)c1Cl

CHA-KIN-bfe9b535-7
0.291

View
COC(=O)C(Cc1ccc(O)cc1)n1ccn(C)c1=[Au+]Cl

MAR-TRE-4f39ef4a-52
0.291

View
NS(=O)(=O)NCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1c(F)cc(F)cc1F)c1ccccc1

CHA-KIN-bfe9b535-8
0.289

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OCC1CN(Cc2ccccc2)CCO1

MAK-UNK-a7992eb3-21
0.289

View
CCc1cnn(C)c1NC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CNS(N)(=O)=O)c1ccccc1

CHA-KIN-bfe9b535-3
0.288

View
CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)O

0.545

View
CC(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)O

0.545

View
CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O

0.545

View
CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)OC(C)C

0.484

View
CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)OC(C)(C)C

0.460

View
CCNC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O

0.459

View
CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1

0.444

View
CCC(NC(C)=O)C(=O)N[C@H](CO)CC1=CC=C(O)C=C1

0.433

View
CC(=O)NC(C)CC1=CC=C(O)C=C1

0.431

View
CCC(NC(C)=O)C(=O)NC(C)CC1=CC=C(O)C=C1

0.424

View
C=C(C)CC(NC(C)=O)C(=O)NCC1=CC=C(O)C=C1

0.424

View
CCC(NC(C)=O)C(=O)NCC1=CC=C(O)C=C1

0.422

View
CC(=O)NC(CC(C)C)C(=O)N[C@H](CO)CC1=CC=C(O)C=C1

0.420

View
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)CC1=CC=C(O)C=C1

0.420

View
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)CC1=CC=C(O)C=C1

0.420

View
CC(=O)NC(CC(C)C)C(=O)NC(C)CC1=CC=C(O)C=C1

0.418

View
CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)CC1=CC=C(O)C=C1

0.418

View
CC(=O)N[C@H](CC(C)C)C(=O)NC(C)CC1=CC=C(O)C=C1

0.418

View
C=C(C)CC(NC(C)=O)C(=O)NCCC1=CC=C(O)C=C1

0.418

View
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C)C

0.418

View
CC(=O)N[C@H](CO)CC1=CC=C(O)C=C1

0.417

View
CCC(NC(C)=O)C(=O)NCCC1=CC=C(O)C=C1

0.415

View
C=C(C)CC(NC(C)=O)C(=O)N[C@H](CO)CC1=CC=C(O)C=C1

0.414

View
CC(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@H](CO)CC1=CC=C(O)C=C1

0.410

View
CC(=O)NC(CC(C)C)C(=O)NCC1=CC=C(O)C=C1

0.409

View
CC(=O)N[C@@H](CC(C)C)C(=O)NCC1=CC=C(O)C=C1

0.409

View
CC(=O)N[C@H](CC(C)C)C(=O)NCC1=CC=C(O)C=C1

0.409

View
CC(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)NC(C)CC1=CC=C(O)C=C1

0.408

View
O=C(NC(CC1=CC=CC=C1)C(=O)NCCC1=CC=C(O)C=C1)C1=CC=CC=C1

0.408

View
C=C(C)CC(NC(C)=O)C(=O)NC(C)CC1=CC=C(O)C=C1

0.406

View
C=C(C)CC(NC(C)=O)C(=O)NCCCC1=CC=C(O)C=C1

0.406

View
O=C(NC(CC1=CC=CC=C1)C(=O)NCC1=CC=C(O)C=C1)C1=CC=CC=C1

0.405

View
CNC(=O)C(CC1=CC=CC=C1)NC(C)=O

0.403

View
CC#CCNC(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1

0.403

View
CC(=O)NC(CCC(C)C)C(=O)N[C@H](CO)CC1=CC=C(O)C=C1

0.403

View
CC(=O)NC(CCC(C)C)C(=O)NC(C)CC1=CC=C(O)C=C1

0.400

View
COC(=O)C(CNC(=O)[C@H](CC(C)C)NC(C)=O)CC1=CC=C(O)C=C1

0.400

View
COC(=O)C(CNC(=O)[C@@H](CC(C)C)NC(C)=O)CC1=CC=C(O)C=C1

0.400

View
CC(=O)NC(C)C(=O)NC(C)CC1=CC=C(O)C=C1

0.400

View
C=C(C)CC(NC(C)=O)C(=O)NCC(CC1=CC=C(O)C=C1)C(=O)OC

0.400

View
O=C(NCC1=CC=C(O)C=C1)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1

0.397

View
CC(=O)NC(CC(C)C)C(=O)NCCC1=CC=C(O)C=C1

0.397

View
CC(=O)N[C@@H](CC(C)C)C(=O)NCCC1=CC=C(O)C=C1

0.397

View
CC(=O)N[C@H](CC(C)C)C(=O)NCCC1=CC=C(O)C=C1

0.397

View
CC(=O)NC(CCC(C)C)C(=O)NCC1=CC=C(O)C=C1

0.397

View
CC#CCNC(=O)NC(C)CC1=CC=C(O)C=C1

0.397

View
NC(=O)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=C(O)C=C1

0.394

View
CNC(=O)C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(O)C=C1

0.392

View
NC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC1=CC=C(O)C=C1

0.392

View
CC#CCNC(=O)C(CC1=CC=CC=C1)NC(N)=O

0.391

View
CCC(NC(C)=O)C(=O)NCCCC1=CC=C(O)C=C1

0.391

View
CC(CC1=CC=C(O)C=C1)NC(=O)NCC#CCO

0.391

View
CC(=O)NC(COC(C)C)C(=O)NC(C)CC1=CC=C(O)C=C1

0.389

View
CC#CCNC(=O)[C@H](CC1=C[NH]C=N1)NC(C)=O

0.389

View
CC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)O

0.387

View
CC(=O)N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O

0.387

View
CC(=O)N[C@H](CC1=CC=C(Br)C=C1)C(=O)O

0.387

View
NC(=O)NC(CC1=CC=CC=C1)C(=O)NCC#CCO

0.386

View
CC(CC1=CC=C(O)C=C1)NC(=O)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1

0.385

View
O=C(CC1=CC=C(O)C=C1)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1

0.384

View
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCC1=CC=C(O)C=C1

0.382

View
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC1=CC=C(O)C=C1

0.382

View
CC(=O)NC(CC(C)C)C(=O)NCCCC1=CC=C(O)C=C1

0.380

View
CC(=O)N[C@@H](CC(C)C)C(=O)NCCCC1=CC=C(O)C=C1

0.380

View
CC(=O)N[C@H](CC(C)C)C(=O)NCCCC1=CC=C(O)C=C1

0.380

View
CC(=O)NC(COC(C)C)C(=O)NCC1=CC=C(O)C=C1

0.380

View
CC(=O)NC(CCC(C)C)C(=O)NCCC1=CC=C(O)C=C1

0.380

View
CN(C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC1=CC=C(O)C=C1

0.377

View
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=C(O)C=C1

0.377

View
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCC1=CC=C(O)C=C1

0.377

View
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC1=CC=C(O)C=C1

0.377

View
CN(C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCC1=CC=C(O)C=C1

0.375

View
CNC(=O)C(CC1=CC=CC=C1)NC(=O)CC1=CC=C(O)C=C1

0.375

View
CC#CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

0.373

View
CC#CCNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

0.373

View
COCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCC1=CC=C(O)C=C1

0.370

View
CC(=O)N[C@H](CC1CCC1)C(=O)NCC1=CC=C(O)C=C1

0.370

View
CC(=O)NC(CCC(C)C)C(=O)NCCCC1=CC=C(O)C=C1

0.370

View
CC(=O)NC(COC(C)C)C(=O)NCCC1=CC=C(O)C=C1

0.370

View
CC(CC1=CC=C(O)C=C1)NC(=O)NCC#CCN(C)C

0.370

View
O=C(N[C@@H](CC1=CC=CC=C1)C(=O)NCCC1=CC=C(O)C=C1)OCC1=CC=CC=C1

0.367

View
O=C(NC(CC1=CC=CC=C1)C(=O)NCCC1=CC=C(O)C=C1)OCC1=CC=CC=C1

0.367

View
CC(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NCC1=CC=C(O)C=C1

0.366

View
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCC#CCO

0.365

View
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC#CCO

0.365

View
O=C(N[C@@H](CC1=CC=CC=C1)C(=O)NCC1=CC=C(O)C=C1)OCC1=CC=CC=C1

0.364

View
O=C(NC(CC1=CC=CC=C1)C(=O)NCC1=CC=C(O)C=C1)OCC1=CC=CC=C1

0.364

View
CC(CC1=CC=C(O)C=C1)NC(=O)NCC#CC1=CC=CC=C1

0.364

View
O=C(CCC1=CC=C(O)C=C1)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1

0.364

View
CNC(=O)C(CC1=CC=CC=C1)NC(=O)NCCC1=CC=C(O)C=C1

0.359

View
O=C(NCCC1=CC=C(O)C=C1)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1

0.350

View
O=C(NCC1=CC=C(O)C=C1)NC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1

0.350

View
O=C(NCC1=CC=C(O)C=C1)N[C@H](CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1

0.350

View
CN(C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCCC1=CC=C(O)C=C1

0.349

View
CNC(=O)C(CC1=CC=CC=C1)NC(=O)NCCCC1=CC=C(O)C=C1

0.346

View
COCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCCC1=CC=C(O)C=C1

0.345

View
CCC(NC(C)=O)C(=O)NCC(O)C1=CC=C(O)C=C1

0.338

View
O=C(NCCCC1=CC=C(O)C=C1)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1

0.337

View
CC(=O)NC(CC1=CC=C(O)C=C1)C1=NC2=CC=CC=C2[NH]1

0.329

View
CNC(=O)C(CC1=CC=CC=C1)NC(=O)NCC#CCO

0.324

View
CC(=O)NC(Cc1ccc(O)cc1)C(N)=O

0.509

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

0.509

View
CC(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O |r|

0.509

View
Oc1ccc(CC2NC(=O)C(Cc3ccc(O)cc3)NC2=O)cc1

0.215

View
Oc1ccc(CC2NC(=O)C(Cc3ccccc3)NC2=O)cc1

0.208

View
CC1NC(=O)C(Cc2ccc(O)cc2)NC1=O

0.208

View
Oc1ccc(CC2NC(=O)CNC2=O)cc1

0.184

View


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