Molecule Details

Molecular Properties
SMILES:
CC(=O)Nc1ccc(Oc2ncccn2)cc1
MW: 229.239
Fraction sp3: 0.08
HBA: 4
HBD: 1
Rotatable Bonds: 3
TPSA: 64.11
cLogP: 2.2273
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z54571979
Enamine REAL: Z54571979
Enamine Extended REAL: s_27____61552____12102082
Mcule: MCULE-6363709677
Mcule Ultimate: DXVKZDBYLFVMFB-UHFFFAOYSA-N
MolPort: MolPort-002-880-520
O=C(Nc1ccc(Oc2ncccn2)cc1)C(=O)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-3
0.419

View
CC(=O)Nc1ccc(Oc2nccc(Nc3sc(C)nc3-c3ccccc3)n2)cc1

ASH-UNK-40b46b30-17
0.408

View
O=C(CC(=O)N1CCN(Cc2cccs2)CC1)Nc1ccc(Oc2ncccn2)cc1

MAK-UNK-b1d4dcd7-2
0.408

View
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1

MAT-POS-b5746674-56
0.306

View
CC(=O)Nc1ccc(NCCC#N)cc1

MAR-TRE-6c5ef77a-62
0.291

View
c1ccc(C2CN(c3ccc(Oc4ncccn4)cc3)Cc3ccccc32)cc1

JAR-IMP-ed466bb3-16
0.289

View
CC(=O)Nc1ccc(NC(=O)CSc2nccc(O)n2)cc1

MAR-TRE-f5c2d31c-10
0.288

View
COc1ccc(NC(=O)CSc2ncccc2C#N)cc1

MAR-TRE-6c5ef77a-67
0.284

View
CC(=O)Nc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1

KEI-TRE-d5e2018a-15
0.280

View
CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)cc1

MAR-TRE-7f7bb9f0-18
0.280

View
CS(=O)(=O)Nc1ccc(Oc2ncccc2C#N)cc1

IND-SYN-6c8299e8-11
0.279

View
CS(=O)(=O)Nc1ccc(Oc2ncccc2C#N)cc1

IND-SYN-64980207-1
0.279

View
C=CC(=O)NC(C(=O)Nc1ccc(OC)cc1)c1cccnc1

RAL-MED-9a5eb9cb-7
0.278

View
CCOc1ccc(NC(=O)CSc2ncccc2C#N)cc1

MAR-TRE-6c5ef77a-64
0.276

View
O=C(Nc1ccccc1)Nc1cccnc1F

SID-ELM-8b394441-1
0.274

View
O=C(Nc1ccccc1)Nc1cccnc1Cl

SID-ELM-8b394441-3
0.274

View
C=CC(=O)N(c1ccccn1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

BRU-LEF-e1854a6f-1
0.274

View
CC(=O)Nc1ccc(NCC(=O)Nc2cnccc2C)cc1

GAB-REV-70cc3ca5-21
0.273

View
COc1ccc(NC(=O)C[S+]([O-])CC(=O)Nc2cccnc2)cc1

MAR-TRE-7f7bb9f0-90
0.271

View
CC(=O)N(C(=O)Nc1ccccc1)c1cccnc1

DAR-DIA-fc970077-9
0.270

View
CC(=O)Nc1cnccc1-c1ccncc1NC(=O)Nc1ccccc1

MAK-UNK-129dcd6f-6
0.269

View
O=C(CC(=O)Nc1ccncc1)Nc1ccccc1

GIA-UNK-3f36037a-7
0.268

View
COc1ccc(N(C(=O)Nc2ccccc2)c2cccnc2)cc1

WIL-UNI-5578df48-5
0.268

View
CC(=O)Nc1cnccc1-c1ccc(NC(=O)Nc2ccccc2)cn1

MAK-UNK-129dcd6f-8
0.267

View
COc1ccc(NC(=O)NC(C)(C)C#N)cc1

MAR-TRE-6c5ef77a-25
0.267

View
C=CC(=O)N(C)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

RAL-MED-9a5eb9cb-6
0.267

View
CCCOc1ccc(NC(=O)CSc2ncccc2C#N)cc1

MAR-TRE-6c5ef77a-58
0.266

View
CC(=O)Nc1ccnc(N2CCCC2=O)c1

MAK-UNK-c8c8f7e2-10
0.266

View
CC(=O)Nc1ccnc(N2CCCC2=O)c1

MAK-UNK-7a704a63-5
0.266

View
COC(=O)CC(NC(C)=O)C(=O)Nc1cccnc1

MAR-TRE-2fd8122f-79
0.265

View
C=CC(=O)N(c1ccc(N(C)C)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

BRU-LEF-973da26b-1
0.262

View
Cc1ncccc1NC(=O)Nc1ccc(F)cc1

CAS-DEP-751a2458-6
0.262

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

MAK-UNK-a7992eb3-29
0.259

View
CC(Br)NC(=O)Nc1ccccc1

MAX-MCD-16e3709a-1
0.259

View
O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11
0.259

View
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

MAT-POS-b5746674-55
0.258

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COc1ccc2cccc(CCNC(C)=O)c2c1

JOH-MSK-ec639444-3
0.258

View
COc1ccc2nccc(C(=O)NN)c2c1

AMD-UAU-3d234461-1
0.258

View
O=C(Nc1ccccc1)N(c1cccnc1)c1ccccn1

DAR-DIA-fc970077-14
0.257

View
COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1

ALV-UNI-7ff1a6f9-47
0.257

View
CC(=O)Nc1cnccc1-c1ncccc1NC(=O)Nc1ccccc1

MAK-UNK-129dcd6f-1
0.256

View
CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)cc1

MAR-TRE-67513f76-23
0.256

View
CC(=O)C(=O)Nc1cccnc1

MAK-UNK-ca11b4f7-3
0.255

View
CC(=O)Nc1ccc(-n2cnc(C(=O)NC(C)C)c2)nc1

MAR-TRE-9c797165-67
0.254

View
O=C(Nc1ccccc1)Nc1cncc2ncccc12

SID-ELM-2583a2cd-20
0.254

View
C=CC(=O)N(C(C(=O)Nc1ccc(OC)cc1)c1cccnc1)C(C)(C)C

RAL-MED-9a5eb9cb-14
0.253

View
CCCCOc1ccc(NC(=O)Nc2ncc([N+](=O)[O-])s2)cc1

GAB-FAC-da17721d-1
0.250

View
Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.250

View
O=C(Nc1ccccc1)c1ccccc1

CHR-SOS-7098f804-9
0.250

View
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)n1

MAR-TRE-f5c2d31c-80
0.250

View
COc1ccc(NC(=O)CSCC#N)cc1

MAR-TRE-a3327163-40
0.250

View
COc1ccc(NC(=O)C(C)Sc2nc(N)cc(O)n2)cc1

MAR-TRE-f5c2d31c-60
0.250

View
CNc1cnc(Cl)c(NC(=O)Nc2ccccc2)c1

SID-ELM-8b394441-6
0.250

View
Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.250

View
CNC(=O)Nc1ccncc1NC(=O)Nc1ccccc1

WIL-UNI-5578df48-10
0.250

View
CC(=O)Nc1ccc(S(=O)(=O)N(C)CCC#N)cc1

MAR-TRE-a3327163-57
0.250

View
CCOC(=O)c1ccc(NC(=O)CSc2ncccc2C#N)cc1

MAR-TRE-0fda4e82-72
0.250

View
CC(=O)Nc1cnccc1-c1cncc(NC(=O)Nc2ccccc2)c1

MAK-UNK-129dcd6f-7
0.247

View
CC(=O)Nc1ccc(C(=O)CSc2nc(O)c3ccccc3n2)cc1

MAR-TRE-f5c2d31c-3
0.247

View
O=C(Nc1ccccc1)Nc1c(Cl)ncc2ncccc12

SID-ELM-8b394441-9
0.247

View
O=C(Nc1ccccc1)Nc1c(F)ncc2ncccc12

SID-ELM-b654bfa2-4
0.247

View
Cc1ncncc1NC(=O)Nc1ccccc1

HAN-NEW-5f56c3bc-1
0.246

View
C/C(O)=C(/C#N)C(=O)Nc1ccccc1

JOH-SUS-bab12148-1
0.246

View
CC(=O)Nc1cncc(N)c1

DAN-PUR-19f24f0c-1
0.245

View
O=C(Cc1cccnc1Br)Nc1cccc(OCCn2cncn2)c1

BAR-COM-4e090d3a-35
0.244

View
CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2cccnc2Cl)c1

MAR-TRE-3e4e6814-63
0.244

View
CC(=O)Nc1ccc(OCC(=O)NCc2cccc(F)c2)nc1

MAR-TRE-4b834d9a-75
0.244

View
CC(=O)Nc1ccc(OCC(=O)NCc2ccco2)nc1

MAR-TRE-9c797165-10
0.243

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

LON-WEI-d1c9908a-7
0.241

View
O=C(CCl)Nc1cccnc1Cl

AAR-POS-0daf6b7e-20
0.241

View
CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.241

View
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.241

View
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1

MAR-TRE-fd17a9b8-74
0.240

View
CC(=O)Nc1ccc(C(=O)CSc2nc(C)cc(O)n2)cc1

MAR-TRE-f5c2d31c-100
0.239

View
CC(=O)Nc1cccc(N2CCCC2N)c1

MAK-UNK-c8c8f7e2-21
0.239

View
CCN1CCN(c2ccc(NC(C)=O)cn2)C1=O

MAR-TRE-67513f76-74
0.239

View
CC(=O)N1CCN(C(=O)c2ncccc2CCF)CC1

JON-UNI-bb9dc649-4
0.239

View
C=CC(=O)N(c1ccc(SC)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

LON-WEI-b8d98729-47
0.239

View
COCCNC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1

MAR-TRE-3e4e6814-17
0.239

View
CNc1cncc(NC(=O)Nc2ccccc2)c1

SID-ELM-2583a2cd-6
0.238

View
C=CC(=O)N(CC(=O)Nc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1

RAL-MED-9a5eb9cb-13
0.237

View
COc1cc(NC(=O)Cc2c[nH]c3ncccc23)cc(OC)c1

MAR-TRE-3159af1a-33
0.237

View
CCn1c(Cn2cccn2)nc2cc(NC(C)=O)ccc21

MAT-POS-ea426761-101
0.237

View
CN(C)C(=O)NCCc1ccc(NC(=O)c2cncnc2)cc1

MAR-TRE-8190bb11-69
0.236

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

LON-WEI-b8d98729-27
0.236

View
C=CC(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

LON-WEI-b8d98729-12
0.236

View
Cc1cnc(CC(=O)Nc2cccnc2)o1

DAR-DIA-842b4336-16
0.235

View
COc1cc(NC(C)=O)cc(N2CCCC2=O)c1

MAK-UNK-7a704a63-23
0.235

View
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cncnc3)cc2)c(OC)c1

MAR-TRE-a9136c7b-9
0.235

View
CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCc1ccccc1

NIC-BIO-3276ca7f-4
0.235

View
COc1ccc2cccc(CC(=O)Nc3c(F)ccnc3F)c2c1

BAR-COM-0f94fc3d-39
0.235

View
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccnc3)CC2)cc1

SAD-SAT-135344c3-5
0.235

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

NIC-BIO-3276ca7f-1
0.235

View
Cc1ccncc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cn1

MAK-UNK-129dcd6f-17
0.234

View
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1

MAK-UNK-0cb6a3ad-11
0.233

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.233

View
O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1cncnc1

MAR-TRE-66ac689e-51
0.233

View
C=CC(=O)N(C1CCCC1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

RAL-MED-9a5eb9cb-8
0.233

View
C=CC(=O)N(c1ccc(NC(C)=O)cc1)N(C(=O)Nc1cccc(Cl)c1)c1cccnc1

JAN-GHE-d851b096-3
0.233

View
CC(=O)Nc1ccc(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)cc1

MIC-UNK-d36ab305-2
0.233

View
CC(=O)NC1=CC=C(OC2=NC=CC=N2)C=C1

1.000

View
CC(C)C(=O)NC1=CC=C(OC2=NC=CC=N2)C=C1

0.750

View
CC(C)(C)OC(=O)NC1=CC=C(OC2=NC=CC=N2)C=C1

0.653

View
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2)C=C1

0.647

View
CSCC(=O)NC1=CC=C(OC2=NC=CC=N2)C=C1

0.640

View
CC(=O)NC1=CC=C(OC2=NC=C(C)C=N2)C=C1

0.630

View
CC(=O)NC1=CC=C(OC2=NC=C(Br)C=N2)C=C1

0.617

View
CC(=O)NC1=CC=C(OC2=NC=C(Cl)C=N2)C=C1

0.617

View
CC(=O)NC1=CC=C(OC2=NC=C(F)C=N2)C=C1

0.617

View
CC(=O)NC1=CC=C(OC2=NC=CC(C)=N2)C=C1

0.600

View
CC1=C(C(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2)SC=C1

0.600

View
O=C(NC1=CC=C(OC2=NC=CC=N2)C=C1)C1=CC=CO1

0.596

View
COC(=O)C1=CN=C(OC2=CC=C(NC(C)=O)C=C2)N=C1

0.592

View
CC(=O)C1=CC=C(OC2=NC=CC=N2)C=C1

0.591

View
CC(=O)NC1=CC=C(OC2=CC=CC=N2)C=C1

0.571

View
CC(=O)NC1=CC=C(OC2=NC=C([N+](=O)[O-])C=N2)C=C1

0.569

View
COC1=CC=NC(OC2=CC=C(NC(C)=O)C=C2)=N1

0.566

View
O=C(NC1=CC=CC=C1)C1=CC=C(OC2=NC=CC=N2)C=C1

0.558

View
CC(=O)NC1=CC=C(C2=NC(C3=CC=C(OC4=NC=CC=N4)C=C3)=NO2)C=C1

0.557

View
CC(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1

0.556

View
CC(=O)NC1=CC=C(OC2=NC=CC(C(F)(F)F)=N2)C=C1

0.556

View
CC(=O)NC1=CC=C(NC(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.552

View
COC1=CC=CC=C1C(=O)NC1=CC=C(OC2=NC=CC=N2)C=C1

0.552

View
CC(=O)NC1=CC=C(OC2=NC(C)=CC(C)=N2)C=C1

0.551

View
CC(=O)NC1=CC=C(NC(=O)C(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.542

View
CC(=O)NC1=CC=C(C(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.542

View
CC(=O)NC1=CC=C(OC2=NC=CS2)C=C1

0.540

View
CC(=O)NC1=CC=C(NC(=O)NC2=CC=C(OC3=NC=CC(C)=N3)C=C2)C=C1

0.536

View
CC(=O)NC1=CC=C(NC(=O)C(=O)NC2=CC=C(OC3=NC=CC(C)=N3)C=C2)C=C1

0.536

View
CC(=O)NC1=CC=C(OC2=NC=CC(OC3=CC=CC=C3)=N2)C=C1

0.534

View
COC(=O)CC1=CC=NC(OC2=CC=C(NC(C)=O)C=C2)=N1

0.534

View
CC(=O)NC1=CC=C(OC2=CC=NC=C2)C=C1

0.532

View
CC(=O)NC1=CC=C(OC2=CC=CN=C2)C=C1

0.531

View
CC(=O)NC1=CC=C(OC2=NC=CC=N2)C=C1C

0.529

View
CC(=O)NC1=CC=C(NC(=S)NC2=CC=C(OC3=NC=CC(C)=N3)C=C2)C=C1

0.526

View
CC(=O)NC1=CC=C(OCC(O)COC2=CC=CC(OC3=NC=CC=N3)=C2)C=C1

0.524

View
CC(=O)NC1=CC=C(OC(=O)C2=NC=CC=N2)C=C1

0.520

View
CC(=O)NC1=CC=C(OC2=NN=C(C)C(C)=N2)C=C1

0.519

View
CCCOC1=CC=NC(OC2=CC=C(NC(C)=O)C=C2)=N1

0.517

View
CC(=O)NC1=CC=C(C(=O)OC2=CC=CC(OC3=NC=CC=N3)=C2)C=C1

0.517

View
CC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.516

View
CC(=O)NC1=CC=C(CC(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.516

View
CC(=O)NC1=CC=C(CC2=NC(C3=CC=C(OC4=NC=CC=N4)C=C3)=NO2)C=C1

0.515

View
COCCOC1=CC=NC(OC2=CC=C(NC(C)=O)C=C2)=N1

0.508

View
CC(=O)NC1=CC=C(C2=NC(CC3=CC=C(OC4=NC=CC=N4)C=C3)=NO2)C=C1

0.507

View
CC(=O)NC1=CC=C(CC2=NC(CC3=CC=C(OC4=NC=CC=N4)C=C3)=NO2)C=C1

0.507

View
CC(=O)NC1=CC=C(S(=O)(=O)OC2=CC=CC(OC3=NC=CC=N3)=C2)C=C1

0.500

View
CC(=O)NC1=CC=C(NC(=O)NC2=CC=C(OC3=CC=CC=N3)C=C2)C=C1

0.500

View
CC(=O)NC1=CC=C(NC(=O)C(=O)NC2=CC=C(OC3=CC=CC=N3)C=C2)C=C1

0.500

View
CC(=O)NC1=CC=C(OC2=NC=CC=N2)C(F)=C1

0.500

View
CC(=O)NC1=CC=C(C=CC2=NC(C3=CC=C(OC4=NC=CC=N4)C=C3)=NO2)C=C1

0.500

View
CC(=O)NC1=CC=C(C=CC(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.500

View
CC(=O)NC1=CC=C(OC2=CN=CC=N2)C=C1

0.500

View
CC(=O)NC1=CC=C(OC2=CC=C(C)C=C2)C=C1

0.500

View
CC(=O)NC1=CC=C(OC2=CC=C(Br)C=C2)C=C1

0.500

View
CC(=O)NC1=CC=C(CC(=O)OC2=CC=CC(OC3=NC=CC=N3)=C2)C=C1

0.492

View
CC(=O)NC1=CC=C(C(=O)NC2=CC=C(OC3=NC=CC(C)=N3)C=C2)C=C1

0.492

View
CC(=O)NC1=CC=C(OC2=NC=CC=C2C#N)C=C1

0.491

View
CC(=O)NC1=CC=C(OC(=O)CCC2=NC=CC=N2)C=C1

0.491

View
CC(=O)NC1=CC=C(OC2=NC=CC=C2[N+](=O)[O-])C=C1

0.483

View
CC(=O)NC1=CC=C(OC2=CC=CN=C2[N+](=O)[O-])C=C1

0.483

View
CC(=O)NC1=CC=C(OC2=CC=NC(Cl)=N2)C=C1

0.481

View
CC(=O)NC1=CC=C(OC2=CC=NC(C)=N2)C=C1

0.481

View
CC(=O)NC1=CC=C(NC(=O)C(=O)NC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1

0.481

View
CC(=O)NC1=CC=C(CNC(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.478

View
CC(=O)NC1=CC=C(C=CC(=O)OC2=CC=CC(OC3=NC=CC=N3)=C2)C=C1

0.477

View
CC(=O)NC1=CC=C(OC2=CC=CC3=CC=CN=C23)C=C1

0.475

View
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.471

View
CC(=O)NC1=CC=CC(NC(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)=C1

0.469

View
CC(=O)NC1=CC=CC(NC(=O)C(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)=C1

0.469

View
CC1=CC=NC(OC2=CC=C(NC(=O)C3=NC=CC=N3)C=C2)=N1

0.468

View
CC(=O)NC1=CC=C(C(=O)NC2=CC=C(OC3=CC=CC=N3)C=C2)C=C1

0.467

View
CC(=O)NC1=CC=C(OC2=CC=NC3=CC=CC=C23)C=C1

0.467

View
CC(=O)NC1=CC=C(NC(=O)NC2=CC=C(OC3=CC=CN=C3)C=C2)C=C1

0.464

View
CC(=O)NC1=CC=C(NC(=O)C(=O)NC2=CC=C(OC3=CC=CN=C3)C=C2)C=C1

0.464

View
CC(=O)NC1=CC=C(SC(C)C(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.464

View
CC(=O)NC1=CC=C(CNC(=O)C(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.464

View
CC(=O)NC1=CC=C(CCNC(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1

0.464

View
CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=N2)C=C1

0.463

View
CC(=O)NC1=CC=C(NC(=O)C(=O)NC2=CC=C(OC3=CC=NC=C3)C=C2)C=C1

0.463

View
CC(=O)NC1=CC=CC(NC(=O)C(=O)NC2=CC=C(OC3=NC=CC(C)=N3)C=C2)=C1

0.462

View
CC(=O)NC1=CC=C(C2=CC=C(S(=O)(=O)OC3=CC=CC(OC4=NC=CC=N4)=C3)C=C2)C=C1

0.456

View
CC(=O)NC1=CC=C(SC(C)C(=O)OC2=CC=CC(OC3=NC=CC=N3)=C2)C=C1

0.456

View
CC(=O)NC1=CC=CC(NC(=O)NC2=CC=C(OC3=NC=CC(C)=N3)C=C2)=C1

0.455

View
CC(=O)NC1=CC=C(NC(=O)C2=NC=CC=N2)C=C1

0.449

View
CC(=O)NC1=CC=C(NC2=NC=CC=N2)C=C1

0.449

View
CC(=O)NC1=CC=C(C)C(C(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)=C1

0.448

View
CC(=O)NC1=CC=CC(NC(=S)NC2=CC=C(OC3=NC=CC(C)=N3)C=C2)=C1

0.448

View
CC(=O)NC1=CC=C(NC(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1C

0.446

View
CC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=C(OC3=NC=CC(C)=N3)C=C2)C=C1

0.446

View
CC(=O)NC1=CC=C(OC2=CC=C3N=CC=NC3=N2)C=C1

0.443

View
CC(=O)NC1=CC=C(NC(=O)C(=O)NC2=CC=C(OC3=NC=CC=N3)C=C2C)C=C1C

0.439

View
CC(=O)NC1=CC=C(Cl)C(C2=NC(C3=CC=C(OC4=NC=CC=N4)C=C3)=NO2)=C1

0.438

View
CC(=O)NC1=CC=C(S(=O)(=O)OC2=CC=CC(OC3=NC=CC=N3)=C2)C(F)=C1

0.435

View
CC(=O)NC1=CC=C(F)C(C2=NC(C3=CC=C(OC4=NC=CC=N4)C=C3)=NO2)=C1

0.432

View
CC(=O)NC1=CC=C(NC(=O)C(=O)NC2=CC=C(OC3=CC=CC4=CC=CN=C34)C=C2)C=C1

0.431

View
CC(=O)NC1=CC=C(Cl)C(C(=O)OC2=CC=CC(OC3=NC=CC=N3)=C2)=C1

0.420

View
CC(=O)NC1=CC=C(C)C(C(=O)OC2=CC=CC(OC3=NC=CC=N3)=C2)=C1

0.420

View
CC(=O)NC1=CC=C(NC(=O)N2CC(OC3=NC=CC=N3)C2)C=C1

0.417

View
CC(=O)NC1=CC=C(C)C(S(=O)(=O)OC2=CC=CC(OC3=NC=CC=N3)=C2)=C1

0.408

View
CC(=O)Nc1ccc(Oc2ncccn2)c(Cl)c1

0.196

View
O=C(Nc1ccc(Oc2ncccn2)cc1)C1CCC1

0.196

View
CC(C)CCC(=O)Nc1ccc(Oc2ncccn2)cc1

0.179

View
CCCCCC(=O)Nc1ccc(Oc2ncccn2)cc1

0.173

View
CC(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1

0.161

View
C=CC(=O)Nc1ccc(Oc2ncccn2)cc1

0.057

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)C

1.000

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)C(C)C

0.750

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)C(Cl)Cl

0.711

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CC

0.696

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)COC

0.653

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CCC

0.653

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CSC

0.640

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CN(C)C

0.640

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CC(C)C

0.640

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CC#C

0.620

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CC=C

0.620

View
C(NC1=CC=C(OC2=NC=C(Br)C=N2)C=C1)(=O)C

0.617

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CCOC

0.615

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)COCC

0.615

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CCCC

0.615

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CC#N

0.608

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CCSC

0.604

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CSCC

0.604

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CCCCC

0.604

View
C(NC1=CC=C(OC2=NC=CC=N2)C=C1)(=O)CCC=C

0.574

View

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