Molecular Properties | |
SMILES: | NS(=O)(=O)c1cccc(C2(CC(=O)Nc3cccnc3)CCC2)c1 |
MW: | 345.424 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.15 |
cLogP: | 2.1795 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-e960e883-2
0.938
CHR-SOS-e960e883-1
0.910
CHR-SOS-e960e883-6
0.633
CHR-SOS-e960e883-5
0.598
CHR-SOS-f7373dd1-5
0.586
CHR-SOS-e960e883-4
0.583
CHR-SOS-f7373dd1-2
0.569
CHR-SOS-70e4c98a-9
0.568
CHR-SOS-f7373dd1-4
0.562
CHR-SOS-f7373dd1-1
0.547
CHR-SOS-70e4c98a-7
0.543
CHR-SOS-70e4c98a-4
0.536
CHR-SOS-70e4c98a-12
0.523
CHA-MCP-85291e1d-2
0.513
CHA-MCP-85291e1d-4
0.494
CHR-SOS-70e4c98a-11
0.476
CHR-SOS-70e4c98a-2
0.460
CHR-SOS-f7373dd1-6
0.451
CHR-SOS-f7373dd1-3
0.440
MAR-TRE-2fd8122f-37
0.439
MED-UNK-e6e8ef8a-6
0.434
TAM-UNI-c140e31a-12
0.433
MAR-TRE-2fd8122f-78
0.430
TAM-UNI-c140e31a-6
0.429
TAM-UNI-c140e31a-14
0.429
CHR-SOS-70e4c98a-8
0.420
TAM-UNI-c140e31a-1
0.419
SAD-SAT-135344c3-10
0.419
JOH-IMS-62aeb97d-5
0.412
MAK-UNK-ca11b4f7-1
0.412
TAM-UNI-c140e31a-13
0.411
CHR-SOS-70e4c98a-5
0.409
CHR-SOS-59746812-2
0.407
PET-SGC-d0156db4-2
0.407
MAR-TRE-67513f76-81
0.403
CHR-SOS-59746812-6
0.402
TAM-UNI-c140e31a-7
0.402
CHA-MCP-85291e1d-5
0.398
CHR-SOS-59746812-1
0.398
ALE-HEI-f28a35b5-14
0.397
CHR-SOS-70e4c98a-6
0.395
CHR-SOS-59746812-5
0.393
CHR-SOS-70e4c98a-3
0.393
MAR-TRE-7f7bb9f0-46
0.390
AAR-POS-d2a4d1df-13
0.385
FRA-FAC-9ed5a63a-1
0.385
ALE-HEI-f28a35b5-9
0.385
CHR-SOS-70e4c98a-1
0.384
MAR-TRE-2fd8122f-32
0.382
CHR-SOS-59746812-3
0.382
MED-UNK-e6e8ef8a-5
0.380
MAR-TRE-2fd8122f-2
0.379
CHR-SOS-59746812-4
0.378
AUS-ARG-7cfdce8f-11
0.377
MAK-UNK-b2c98f02-6
0.376
CHR-SOS-b301fc01-2
0.375
MED-UNK-e6e8ef8a-2
0.375
FRA-FAC-9ed5a63a-2
0.375
MAR-TRE-f6f5f473-52
0.375
SAD-SAT-f25ee457-7
0.374
SAD-SAT-f25ee457-8
0.372
MAR-TRE-04c86cea-81
0.372
CHR-SOS-b301fc01-3
0.371
MAR-TRE-7f7bb9f0-49
0.370
PET-SGC-59809fea-1
0.370
CHR-SOS-363cfb78-5
0.370
SAD-SAT-24589cd1-4
0.368
MAR-TRE-2fd8122f-98
0.368
MAK-UNK-c749d764-17
0.367
MED-UNK-e6e8ef8a-4
0.366
CHR-SOS-7098f804-22
0.365
WAR-XCH-e55cba98-13
0.364
CHR-SOS-b301fc01-5
0.363
EDG-MED-0da5ad92-2
0.362
PET-SGC-1fc12be1-1
0.361
CHR-SOS-7098f804-17
0.361
MED-UNK-e6e8ef8a-3
0.358
WAR-XCH-72a8c209-2
0.358
MAR-TRE-2fd8122f-5
0.358
CHR-SOS-54d5cf3e-8
0.358
MAR-TRE-b77b7921-91
0.356
CHR-SOS-7098f804-15
0.356
SAN-PRS-52b81272-2
0.355
CHR-SOS-54d5cf3e-7
0.355
CHR-SOS-b301fc01-6
0.355
CHR-SOS-b301fc01-1
0.355
MAK-UNK-c749d764-27
0.354
MAR-TRE-04c86cea-97
0.353
WAR-XCH-b0339bbe-5
0.352
CHR-SOS-b301fc01-7
0.351
KEI-TRE-d5e2018a-64
0.351
CHR-SOS-54d5cf3e-5
0.351
DAR-DIA-23aa0b97-16
0.350
KEI-TRE-d5e2018a-46
0.350
DAR-DIA-842b4336-14
0.349
MAK-UNK-c749d764-13
0.349
TAM-UNI-c140e31a-10
0.348
ADA-UNI-f8e79267-9
0.347
CHR-SOS-54d5cf3e-2
0.347
MAR-TRE-2fd8122f-59
0.347