Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1-c1cccc(NC(=O)Nc2cccnc2)c1 |
MW: | 347.378 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 96.01 |
cLogP: | 3.746 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-129dcd6f-3
0.671
MAK-UNK-129dcd6f-5
0.545
MAK-UNK-129dcd6f-7
0.538
WAR-XCH-eb7b662f-6
0.507
WIL-UNI-5578df48-21
0.486
DAR-DIA-23aa0b97-14
0.486
WAR-XCH-eb7b662f-7
0.486
JAN-GHE-83b26c96-19
0.486
JOR-UNI-2fc98d0b-7
0.486
MAK-UNK-129dcd6f-9
0.463
WIL-UNI-5578df48-22
0.461
WAR-XCH-eb7b662f-1
0.459
DAR-DIA-23aa0b97-5
0.459
JOR-UNI-61e7b1d5-2
0.459
ANN-UNI-26382800-4
0.459
WIL-UNI-5578df48-28
0.450
BAR-COM-21d20d65-4
0.446
BAR-COM-21d20d65-8
0.446
WIL-UNI-5578df48-19
0.443
MAK-UNK-10dfa458-24
0.435
MAK-UNK-129dcd6f-6
0.434
MAK-UNK-129dcd6f-8
0.434
BAR-COM-21d20d65-2
0.430
BAR-COM-21d20d65-9
0.429
WIL-UNI-5578df48-24
0.429
WIL-UNI-5578df48-26
0.427
AAR-POS-d2a4d1df-11
0.426
BAR-COM-21d20d65-5
0.424
DAR-DIA-842b4336-1
0.423
WIL-UNI-5578df48-20
0.422
WAR-XCH-eb7b662f-5
0.421
MAK-UNK-d1e89583-7
0.419
BAR-COM-21d20d65-6
0.419
WAR-XCH-eb7b662f-3
0.417
AHN-SAT-d468bb5b-1
0.416
CAS-DEP-167c18e3-4
0.412
DAR-DIA-23aa0b97-15
0.411
DAR-DIA-842b4336-2
0.411
SAD-SAT-cefd50cc-1
0.410
BAR-COM-21d20d65-7
0.409
WIL-UNI-5578df48-25
0.409
MAK-UNK-129dcd6f-12
0.405
SAD-SAT-135344c3-7
0.404
BAR-COM-21d20d65-3
0.402
MAK-UNK-129dcd6f-1
0.402
MAK-UNK-d1e89583-4
0.400
MAK-UNK-009ebe36-2
0.398
WIL-UNI-5578df48-27
0.393
BAR-COM-21d20d65-1
0.393
CHR-SOS-363cfb78-1
0.390
DAR-DIA-842b4336-7
0.390
WAR-XCH-eb7b662f-4
0.390
SAD-SAT-689b7d5a-3
0.388
DAR-DIA-842b4336-3
0.387
ANN-UNI-26382800-3
0.387
JOH-UNK-14e6adc5-2
0.387
WIL-UNI-5578df48-23
0.386
MAK-UNK-30aad1f1-8
0.386
MAK-UNK-129dcd6f-4
0.386
WIL-UNI-5578df48-30
0.385
WIL-UNI-5578df48-29
0.385
WIL-UNI-5578df48-15
0.383
SAD-SAT-689b7d5a-8
0.381
SAD-SAT-f25ee457-8
0.381
DAR-DIA-842b4336-9
0.380
MAK-UNK-10dfa458-31
0.379
BAR-COM-5694a99d-2
0.379
MAK-UNK-ae34c249-2
0.379
ALE-HEI-f28a35b5-4
0.377
MAK-UNK-d1e89583-2
0.377
CHA-MCP-85291e1d-1
0.376
MAK-UNK-30aad1f1-6
0.376
DAR-DIA-842b4336-6
0.375
WIL-UNI-5578df48-14
0.373
MAK-UNK-de8f6d00-2
0.373
DAR-DIA-842b4336-8
0.372
DAR-DIA-842b4336-5
0.372
WAR-XCH-eb7b662f-2
0.370
IAN-BAS-df1706d7-1
0.369
DAR-DIA-842b4336-4
0.368
MAK-UNK-ca11b4f7-3
0.368
TAM-UNI-c140e31a-19
0.366
ASH-UNK-40b46b30-7
0.365
JOH-IMS-62aeb97d-5
0.362
WIL-UNI-5578df48-32
0.358
MAR-TRE-2fd8122f-2
0.356
SAD-SAT-689b7d5a-5
0.356
HUB-UNK-9845d277-3
0.356
WIL-UNI-5578df48-16
0.356
MAK-UNK-d1e89583-1
0.355
MAR-TRE-67513f76-81
0.353
JOR-UNI-61e7b1d5-1
0.352
SAD-SAT-f25ee457-7
0.352
ALE-HEI-f28a35b5-15
0.351
ALE-MCD-4ac17b19-1
0.348
MAK-UNK-ca11b4f7-2
0.348
ALE-HEI-f28a35b5-8
0.346
JIA-UNI-12b1f9ae-1
0.345
MAK-UNK-ca11b4f7-1
0.343
MAR-TRE-2fd8122f-67
0.342