Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)CCCCN2CC(=O)Nc1cccnc1 |
MW: | 360.439 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.39 |
cLogP: | 1.5104 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TAM-UNI-c140e31a-12
0.901
TAM-UNI-c140e31a-6
0.659
TAM-UNI-c140e31a-13
0.565
TAM-UNI-c140e31a-1
0.551
TAM-UNI-c140e31a-7
0.534
MAR-TRE-2fd8122f-78
0.469
PET-SGC-59809fea-1
0.459
CHR-SOS-e960e883-3
0.429
CHA-MCP-85291e1d-4
0.425
MAR-TRE-2fd8122f-37
0.425
CHA-MCP-85291e1d-2
0.424
TAM-UNI-c140e31a-18
0.422
CHR-SOS-e960e883-2
0.419
MAR-TRE-b77b7921-81
0.413
CHR-SOS-e960e883-1
0.411
MAR-TRE-67513f76-81
0.408
MAR-TRE-3e4e6814-80
0.408
CHR-SOS-70e4c98a-2
0.400
CHR-SOS-70e4c98a-9
0.400
CHR-SOS-70e4c98a-12
0.398
NAU-LAT-64f4b287-10
0.398
MAR-TRE-2fd8122f-59
0.396
CHR-SOS-70e4c98a-11
0.396
CHR-SOS-70e4c98a-7
0.394
CHR-SOS-70e4c98a-4
0.392
MAR-TRE-2fd8122f-54
0.391
MAR-TRE-9c797165-52
0.386
MAR-TRE-4b834d9a-63
0.385
MAR-TRE-f6f5f473-46
0.383
MAR-TRE-67513f76-73
0.379
MAR-TRE-b77b7921-91
0.378
MAR-TRE-d0525fbf-45
0.377
MAR-TRE-b77b7921-66
0.377
MAR-TRE-b77b7921-40
0.374
BEN-DND-362d364a-10
0.374
BEN-DND-362d364a-11
0.371
MAR-TRE-2fd8122f-30
0.371
MAR-TRE-b77b7921-83
0.370
KEI-TRE-d5e2018a-45
0.370
MAR-TRE-2fd8122f-91
0.368
KEI-TRE-d5e2018a-37
0.368
MAR-TRE-4b834d9a-45
0.368
ALE-HEI-f28a35b5-14
0.367
MED-UNK-e6e8ef8a-2
0.365
FRA-FAC-9ed5a63a-2
0.365
MAR-TRE-2fd8122f-5
0.364
MAR-TRE-d0525fbf-33
0.364
SAD-SAT-f25ee457-8
0.363
CHR-SOS-7098f804-15
0.362
BEN-DND-93268d01-12
0.361
BEN-DND-6de5dfa0-13
0.361
MAR-TRE-7f7bb9f0-76
0.360
JOH-IMS-62aeb97d-5
0.360
MAK-UNK-ca11b4f7-1
0.360
MAR-TRE-04c86cea-97
0.360
MAR-TRE-2fd8122f-98
0.359
SAD-SAT-135344c3-2
0.358
ALE-HEI-f28a35b5-9
0.357
FRA-FAC-9ed5a63a-1
0.357
MAR-TRE-2fd8122f-17
0.357
AAR-POS-d2a4d1df-13
0.357
MAR-TRE-7f7bb9f0-28
0.356
CHA-MCP-85291e1d-5
0.356
MAR-TRE-2fd8122f-43
0.354
MAR-TRE-b77b7921-52
0.354
MAR-TRE-2fd8122f-57
0.352
MAR-TRE-74c6519b-91
0.352
MAR-TRE-b77b7921-97
0.351
MAR-TRE-d0525fbf-64
0.351
SAD-SAT-f25ee457-7
0.351
KEI-TRE-d5e2018a-4
0.351
MAR-TRE-2fd8122f-9
0.350
MAR-TRE-7f7bb9f0-84
0.350
KEI-TRE-d5e2018a-6
0.350
MAR-TRE-2fd8122f-83
0.350
PET-SGC-05cff2e1-1
0.349
MAR-TRE-4b834d9a-31
0.348
MAR-TRE-67513f76-55
0.347
SAD-SAT-135344c3-10
0.347
MAR-TRE-67513f76-92
0.347
MAR-TRE-c317dd82-59
0.347
MAR-TRE-2fd8122f-63
0.347
SAN-PRS-52b81272-2
0.346
MAR-TRE-7f7bb9f0-49
0.345
CHR-SOS-f7373dd1-5
0.345
KEI-TRE-d5e2018a-7
0.344
MAR-TRE-4b834d9a-16
0.344
MAR-TRE-9c797165-57
0.344
ALB-THE-e2bfce8e-1
0.343
TAM-UNI-c140e31a-17
0.343
SAD-SAT-5b1897b2-7
0.341
MAR-TRE-6a44bbf2-33
0.341
DAR-DIA-842b4336-14
0.341
MAR-TRE-d0525fbf-90
0.341
CHR-SOS-70e4c98a-5
0.340
MAR-TRE-2fd8122f-39
0.340
MAR-TRE-2fd8122f-49
0.340
CHR-SOS-7098f804-19
0.340
MAK-UNK-a7b37c5e-4
0.337
MED-UNK-e6e8ef8a-6
0.337