Molecular Properties | |
SMILES: | NS(=O)(=O)c1cccc(OC2(CC(=O)Nc3cccnc3)CCCCC2)c1 |
MW: | 389.477 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 111.38 |
cLogP: | 2.8395 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-70e4c98a-4
0.943
CHR-SOS-70e4c98a-9
0.914
CHR-SOS-70e4c98a-7
0.859
CHR-SOS-70e4c98a-2
0.718
CHR-SOS-70e4c98a-1
0.636
CHR-SOS-70e4c98a-11
0.600
CHR-SOS-70e4c98a-5
0.598
CHR-SOS-70e4c98a-3
0.590
CHR-SOS-70e4c98a-8
0.564
CHR-SOS-e960e883-1
0.552
CHR-SOS-e960e883-2
0.529
CHR-SOS-e960e883-3
0.523
CHR-SOS-70e4c98a-6
0.519
CHA-MCP-85291e1d-2
0.488
CHA-MCP-85291e1d-4
0.453
MED-UNK-e6e8ef8a-6
0.450
CHR-SOS-363cfb78-5
0.440
CHR-SOS-7098f804-17
0.433
CHR-SOS-f7373dd1-2
0.429
CHR-SOS-1f323c23-2
0.424
CHR-SOS-7098f804-22
0.423
PET-SGC-d0156db4-2
0.422
CHR-SOS-59746812-6
0.419
CHR-SOS-f7373dd1-1
0.414
CHR-SOS-59746812-5
0.409
CHR-SOS-59746812-4
0.409
MAR-TRE-7f7bb9f0-46
0.407
CHR-SOS-f7373dd1-5
0.405
CHR-SOS-1f323c23-5
0.404
CHR-SOS-b301fc01-3
0.402
TAM-UNI-c140e31a-12
0.402
TAM-UNI-c140e31a-14
0.398
MAR-TRE-2fd8122f-78
0.395
CHR-SOS-1f323c23-8
0.394
MAK-UNK-b2c98f02-6
0.392
CHR-SOS-54d5cf3e-2
0.392
MAR-TRE-f6f5f473-52
0.391
CHR-SOS-b301fc01-2
0.391
CHR-SOS-f7373dd1-3
0.391
CHR-SOS-f7373dd1-4
0.391
CHR-SOS-59746812-2
0.391
MAR-TRE-2fd8122f-37
0.389
MAR-TRE-04c86cea-81
0.389
CHR-SOS-1f323c23-11
0.388
SAD-SAT-135344c3-10
0.387
CHR-SOS-54d5cf3e-7
0.385
TAM-UNI-c140e31a-6
0.384
MAR-TRE-2fd8122f-32
0.383
CHR-SOS-59746812-3
0.383
CHR-SOS-59746812-1
0.382
CHA-MCP-85291e1d-5
0.382
TAM-UNI-c140e31a-13
0.381
CHR-SOS-b301fc01-5
0.379
CHR-SOS-54d5cf3e-1
0.378
CHR-SOS-54d5cf3e-6
0.378
TAM-UNI-c140e31a-1
0.376
TAM-UNI-c140e31a-7
0.374
CHR-SOS-54d5cf3e-8
0.374
CHR-SOS-b301fc01-6
0.371
CHR-SOS-b301fc01-1
0.371
CHR-SOS-54d5cf3e-4
0.370
CHR-SOS-f7373dd1-6
0.370
CHR-SOS-b301fc01-7
0.367
WAR-XCH-e55cba98-10
0.366
CHR-SOS-54d5cf3e-3
0.366
CHR-SOS-54d5cf3e-5
0.366
MAR-TRE-67513f76-81
0.365
EDG-MED-0da5ad92-2
0.365
PET-SGC-1fc12be1-1
0.364
SAD-SAT-f25ee457-7
0.361
MAR-TRE-2fd8122f-5
0.360
CHR-SOS-b301fc01-4
0.360
CHR-SOS-e960e883-4
0.359
MAR-TRE-b77b7921-91
0.359
CHR-SOS-7098f804-15
0.358
MAR-TRE-7f7bb9f0-74
0.356
MAR-TRE-7f7bb9f0-90
0.356
JOH-IMS-62aeb97d-5
0.355
MAK-UNK-ca11b4f7-1
0.355
KEI-TRE-d5e2018a-64
0.353
AAR-POS-d2a4d1df-13
0.353
FRA-FAC-9ed5a63a-1
0.353
ALE-HEI-f28a35b5-9
0.353
WAR-XCH-e55cba98-13
0.352
MAR-TRE-2fd8122f-2
0.351
MAR-TRE-b77b7921-52
0.351
CHR-SOS-7098f804-19
0.350
CHR-SOS-363cfb78-4
0.346
ALE-HEI-f28a35b5-14
0.346
SAD-SAT-f25ee457-8
0.344
BEN-VAN-ed886787-2
0.343
MAK-UNK-c749d764-27
0.341
MAR-TRE-7f7bb9f0-49
0.341
MAR-TRE-3e4e6814-50
0.341
MAR-TRE-04c86cea-86
0.341
MAR-TRE-2fd8122f-98
0.340
CHR-SOS-e960e883-5
0.340
ALB-THE-e2bfce8e-1
0.339
DAR-DIA-23aa0b97-16
0.337
MAK-UNK-a7b37c5e-1
0.337