Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)CCCN2CC(=O)Nc1cccnc1 |
MW: | 346.412 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.39 |
cLogP: | 1.1203 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TAM-UNI-c140e31a-14
0.901
TAM-UNI-c140e31a-6
0.709
TAM-UNI-c140e31a-1
0.575
TAM-UNI-c140e31a-13
0.571
TAM-UNI-c140e31a-7
0.540
PET-SGC-59809fea-1
0.495
MAR-TRE-2fd8122f-78
0.475
CHR-SOS-e960e883-3
0.433
MAR-TRE-2fd8122f-37
0.430
CHA-MCP-85291e1d-4
0.430
CHA-MCP-85291e1d-2
0.429
CHR-SOS-e960e883-2
0.424
CHR-SOS-e960e883-1
0.415
CHR-SOS-70e4c98a-2
0.404
CHR-SOS-70e4c98a-9
0.404
MAR-TRE-b77b7921-81
0.404
NAU-LAT-64f4b287-10
0.402
CHR-SOS-70e4c98a-12
0.402
CHR-SOS-70e4c98a-11
0.400
MAR-TRE-3e4e6814-80
0.398
CHR-SOS-70e4c98a-7
0.398
CHR-SOS-70e4c98a-4
0.396
MAR-TRE-2fd8122f-54
0.396
MAR-TRE-67513f76-81
0.394
BEN-DND-93268d01-12
0.394
BEN-DND-6de5dfa0-13
0.394
MAR-TRE-9c797165-52
0.391
MAR-TRE-f6f5f473-46
0.387
MAR-TRE-2fd8122f-59
0.385
MAR-TRE-67513f76-73
0.384
MAR-TRE-b77b7921-91
0.382
PET-SGC-05cff2e1-1
0.379
MAR-TRE-4b834d9a-63
0.375
KEI-TRE-d5e2018a-45
0.374
ALE-HEI-f28a35b5-14
0.372
TAM-UNI-c140e31a-18
0.371
FRA-FAC-9ed5a63a-2
0.369
MED-UNK-e6e8ef8a-2
0.369
SAD-SAT-f25ee457-7
0.368
MAR-TRE-d0525fbf-45
0.368
MAR-TRE-b77b7921-66
0.368
MAR-TRE-d0525fbf-33
0.367
SAD-SAT-f25ee457-8
0.367
CHR-SOS-7098f804-15
0.366
MAK-UNK-ca11b4f7-1
0.365
JOH-IMS-62aeb97d-5
0.365
MAR-TRE-b77b7921-40
0.364
MAR-TRE-04c86cea-97
0.364
BEN-DND-362d364a-10
0.364
MAR-TRE-7f7bb9f0-76
0.364
MAR-TRE-2fd8122f-98
0.363
AAR-POS-d2a4d1df-13
0.361
ALE-HEI-f28a35b5-9
0.361
FRA-FAC-9ed5a63a-1
0.361
MAR-TRE-b77b7921-83
0.361
MAR-TRE-2fd8122f-17
0.361
MAR-TRE-2fd8122f-30
0.361
CHA-MCP-85291e1d-5
0.360
MAR-TRE-7f7bb9f0-28
0.359
KEI-TRE-d5e2018a-37
0.358
MAR-TRE-4b834d9a-45
0.358
MAR-TRE-2fd8122f-39
0.358
MAR-TRE-2fd8122f-43
0.358
MAR-TRE-2fd8122f-91
0.358
MAR-TRE-b77b7921-52
0.358
PET-SGC-fc67af9f-1
0.357
MAR-TRE-d0525fbf-64
0.355
KEI-TRE-d5e2018a-74
0.355
KEI-TRE-d5e2018a-4
0.354
MAR-TRE-7f7bb9f0-84
0.354
MAR-TRE-2fd8122f-9
0.354
MAR-TRE-2fd8122f-5
0.354
MAR-TRE-2fd8122f-83
0.354
KEI-TRE-d5e2018a-6
0.354
MAR-TRE-4b834d9a-31
0.352
MAR-TRE-67513f76-92
0.351
SAD-SAT-135344c3-10
0.351
MAR-TRE-c317dd82-59
0.351
MAR-TRE-67513f76-55
0.351
MAR-TRE-2fd8122f-63
0.350
SAN-PRS-52b81272-2
0.350
CHR-SOS-f7373dd1-5
0.349
MAR-TRE-7f7bb9f0-49
0.349
MAR-TRE-4b834d9a-16
0.347
MAR-TRE-9c797165-57
0.347
KEI-TRE-d5e2018a-7
0.347
BEN-DND-362d364a-11
0.347
ALB-THE-e2bfce8e-1
0.346
DAR-DIA-842b4336-14
0.345
CHR-SOS-70e4c98a-5
0.344
MAR-TRE-2fd8122f-49
0.344
CHR-SOS-7098f804-19
0.343
DAR-DIA-842b4336-11
0.341
MED-UNK-e6e8ef8a-5
0.341
MED-UNK-e6e8ef8a-6
0.341
CHR-SOS-f7373dd1-2
0.341
MAR-TRE-2fd8122f-58
0.341
MAR-TRE-74c6519b-91
0.341
MAR-TRE-2fd8122f-68
0.340
MAR-TRE-b77b7921-97
0.340