Molecular Properties | |
SMILES: | O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)Nc1cccnc1 |
MW: | 333.08 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 97.39 |
cLogP: | 1.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1021049384 |
Hetero_hetero
MAR-TRE-2fd8122f-83
0.610
MAR-TRE-2fd8122f-2
0.557
TAM-UNI-c140e31a-13
0.398
MAR-TRE-b77b7921-83
0.394
MAR-TRE-7f7bb9f0-49
0.390
TAM-UNI-c140e31a-7
0.389
MAR-TRE-2fd8122f-76
0.389
MAR-TRE-67513f76-81
0.386
MAR-TRE-b77b7921-81
0.385
ALE-HEI-f28a35b5-14
0.382
SAN-PRS-52b81272-2
0.377
JOH-IMS-62aeb97d-5
0.375
MAR-TRE-d0525fbf-33
0.375
MAK-UNK-ca11b4f7-1
0.375
MAR-TRE-9c797165-38
0.366
MAR-TRE-2fd8122f-95
0.364
TAM-UNI-c140e31a-1
0.364
MAR-TRE-2fd8122f-60
0.364
MAR-TRE-74c6519b-17
0.363
TAM-UNI-c140e31a-12
0.361
MAR-TRE-3e4e6814-62
0.360
CHA-MCP-85291e1d-4
0.360
MAR-TRE-67513f76-92
0.359
TAM-UNI-c140e31a-6
0.357
TAM-UNI-c140e31a-14
0.357
CHA-MCP-85291e1d-2
0.356
MAR-TRE-2fd8122f-98
0.356
SAD-SAT-24589cd1-4
0.354
MAR-TRE-67513f76-93
0.353
CHA-MCP-85291e1d-5
0.352
MAR-TRE-7f7bb9f0-97
0.352
MAK-UNK-a7b37c5e-4
0.350
KEI-TRE-d5e2018a-78
0.350
DAR-DIA-842b4336-12
0.349
MAR-TRE-b77b7921-66
0.349
MAR-TRE-2fd8122f-78
0.349
MAR-TRE-74c6519b-91
0.348
CHR-SOS-70e4c98a-11
0.348
MAR-TRE-3e4e6814-49
0.348
MAR-TRE-7f7bb9f0-68
0.348
KEI-TRE-d5e2018a-88
0.347
MAR-TRE-74c6519b-56
0.347
MAR-TRE-b77b7921-17
0.346
MAK-UNK-a7b37c5e-5
0.346
FRA-FAC-9ed5a63a-2
0.345
DAR-DIA-842b4336-16
0.345
MED-UNK-e6e8ef8a-2
0.345
MED-UNK-e6e8ef8a-3
0.345
MAR-TRE-04c86cea-81
0.344
MAR-TRE-3e4e6814-67
0.344
MAR-TRE-2fd8122f-37
0.344
WIL-UNI-1faa9b10-8
0.344
MAR-TRE-74c6519b-68
0.344
SER-UNI-985a0e14-1
0.343
MAR-TRE-04c86cea-97
0.341
MAR-TRE-b77b7921-74
0.341
MAR-TRE-9c797165-14
0.340
MAR-TRE-7f7bb9f0-12
0.340
KEI-TRE-d5e2018a-18
0.340
KEI-TRE-d5e2018a-1
0.340
AAR-POS-d2a4d1df-13
0.337
DAR-DIA-23aa0b97-16
0.337
MAK-UNK-a7b37c5e-1
0.337
FRA-FAC-9ed5a63a-1
0.337
ALE-HEI-f28a35b5-9
0.337
DAR-DIA-842b4336-14
0.337
MAR-TRE-9c797165-52
0.337
CHR-SOS-e960e883-3
0.337
MAR-TRE-f6f5f473-75
0.337
CHR-SOS-70e4c98a-5
0.337
KEI-TRE-d5e2018a-84
0.337
CHR-SOS-e960e883-1
0.337
MAR-TRE-2fd8122f-59
0.337
MED-UNK-e6e8ef8a-5
0.333
CHR-SOS-54d5cf3e-8
0.333
MAR-TRE-f6f5f473-79
0.333
PET-SGC-d0156db4-2
0.333
DAR-DIA-842b4336-11
0.333
DAR-DIA-842b4336-13
0.333
CHR-SOS-f7373dd1-2
0.333
ALE-HEI-f28a35b5-5
0.333
CHR-SOS-70e4c98a-7
0.333
MAR-TRE-d0525fbf-91
0.333
MAR-TRE-2fd8122f-57
0.333
MAR-TRE-2fd8122f-58
0.333
KEI-TRE-d5e2018a-75
0.333
MAK-UNK-009ebe36-2
0.333
MAR-TRE-b77b7921-71
0.333
EDG-MED-0da5ad92-2
0.333
MAR-TRE-b77b7921-97
0.333
MED-UNK-e6e8ef8a-6
0.333
KEI-TRE-d5e2018a-95
0.330
MAR-TRE-d0525fbf-92
0.330
BEN-DND-362d364a-10
0.330
MAR-TRE-67513f76-51
0.330
CHR-SOS-e960e883-2
0.330
SAD-SAT-f25ee457-8
0.330
CHR-SOS-59746812-2
0.330
SAD-SAT-2fd372d1-7
0.329
AUS-ARG-7cfdce8f-11
0.329