Molecular Properties | |
SMILES: | NS(=O)(=O)c1cccc(C2(CC(=O)Nc3cccnc3)CCCCC2)c1 |
MW: | 373.478 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.15 |
cLogP: | 2.9597 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-e960e883-2
0.940
CHR-SOS-e960e883-3
0.910
CHR-SOS-e960e883-4
0.651
CHR-SOS-f7373dd1-2
0.648
CHR-SOS-f7373dd1-1
0.622
CHR-SOS-e960e883-5
0.607
CHR-SOS-f7373dd1-5
0.597
CHR-SOS-e960e883-6
0.583
CHR-SOS-f7373dd1-4
0.573
CHR-SOS-70e4c98a-12
0.552
CHR-SOS-70e4c98a-4
0.529
CHR-SOS-70e4c98a-9
0.523
CHR-SOS-70e4c98a-7
0.518
CHA-MCP-85291e1d-2
0.506
CHR-SOS-70e4c98a-2
0.489
CHR-SOS-f7373dd1-3
0.488
CHA-MCP-85291e1d-4
0.470
MED-UNK-e6e8ef8a-6
0.468
PET-SGC-d0156db4-2
0.453
CHR-SOS-70e4c98a-11
0.453
CHR-SOS-f7373dd1-6
0.447
CHR-SOS-59746812-6
0.434
CHR-SOS-59746812-5
0.424
MAK-UNK-b2c98f02-6
0.419
MAR-TRE-2fd8122f-37
0.419
TAM-UNI-c140e31a-12
0.415
WAR-XCH-72a8c209-2
0.415
CHR-SOS-70e4c98a-1
0.414
MAR-TRE-2fd8122f-32
0.411
TAM-UNI-c140e31a-6
0.411
TAM-UNI-c140e31a-14
0.411
MAR-TRE-2fd8122f-78
0.410
CHR-SOS-59746812-4
0.407
CHR-SOS-70e4c98a-5
0.407
CHR-SOS-59746812-2
0.405
CHR-SOS-b301fc01-2
0.404
MAR-TRE-f6f5f473-52
0.404
MAR-TRE-04c86cea-81
0.402
TAM-UNI-c140e31a-1
0.402
SAD-SAT-135344c3-10
0.400
CHR-SOS-b301fc01-3
0.400
WAR-XCH-b0339bbe-5
0.396
CHR-SOS-59746812-1
0.395
CHA-MCP-85291e1d-5
0.395
TAM-UNI-c140e31a-13
0.394
CHR-SOS-b301fc01-5
0.391
CHR-SOS-70e4c98a-3
0.391
MAK-UNK-ca11b4f7-1
0.389
JOH-IMS-62aeb97d-5
0.389
MAR-TRE-7f7bb9f0-46
0.388
WAR-XCH-72a8c209-1
0.387
TAM-UNI-c140e31a-7
0.385
CHR-SOS-54d5cf3e-8
0.385
CHR-SOS-70e4c98a-8
0.384
CHR-SOS-b301fc01-1
0.383
CHR-SOS-b301fc01-6
0.383
CHR-SOS-54d5cf3e-7
0.383
CHR-SOS-59746812-3
0.380
MAR-TRE-67513f76-81
0.380
CHR-SOS-b301fc01-7
0.379
MAR-TRE-2fd8122f-2
0.378
CHR-SOS-54d5cf3e-5
0.378
ALE-HEI-f28a35b5-14
0.377
CHR-SOS-70e4c98a-6
0.376
PET-SGC-1fc12be1-1
0.376
WAR-XCH-e55cba98-13
0.376
CHR-SOS-54d5cf3e-1
0.375
CHR-SOS-54d5cf3e-6
0.375
CHR-SOS-54d5cf3e-2
0.375
CHR-SOS-b301fc01-4
0.371
MAR-TRE-04c86cea-86
0.368
CHR-SOS-54d5cf3e-4
0.367
FRA-FAC-9ed5a63a-1
0.366
AAR-POS-d2a4d1df-13
0.366
ALE-HEI-f28a35b5-9
0.366
WAR-XCH-e55cba98-10
0.364
CHR-SOS-54d5cf3e-3
0.364
MAR-TRE-b77b7921-52
0.362
EDG-MED-0da5ad92-2
0.361
AUS-ARG-7cfdce8f-11
0.358
SAD-SAT-f25ee457-7
0.358
MAR-TRE-2fd8122f-5
0.357
CHR-SOS-363cfb78-5
0.356
PET-SGC-59809fea-1
0.356
SAD-SAT-f25ee457-8
0.356
MAR-TRE-b77b7921-91
0.356
MAR-TRE-7f7bb9f0-49
0.353
MAK-UNK-c749d764-27
0.353
MAR-TRE-2fd8122f-98
0.352
CHR-SOS-7098f804-22
0.350
SAD-SAT-24589cd1-4
0.350
MAK-UNK-c749d764-17
0.349
TAM-UNI-c140e31a-10
0.348
ADA-UNI-f8e79267-9
0.347
CHR-SOS-7098f804-17
0.347
MED-UNK-e6e8ef8a-5
0.345
MAR-TRE-2fd8122f-83
0.343
FRA-FAC-9ed5a63a-2
0.341
MED-UNK-e6e8ef8a-2
0.341
ANN-UNI-26382800-5
0.341