Molecular Properties | |
SMILES: | NCc1cc2c(S(N)(=O)=O)ccc(NCCC(=O)Nc3cccnc3)c2[nH]1 |
MW: | 388.453 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 5 |
Rotatable Bonds: | 7 |
TPSA: | 155.99 |
cLogP: | 1.1097 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
HAR-NEW-e34cb1ae-1
0.656
CHA-MCP-85291e1d-4
0.391
ALB-THE-e2bfce8e-1
0.380
MAK-UNK-ca11b4f7-1
0.377
MAR-TRE-74c6519b-81
0.371
ALE-HEI-f28a35b5-14
0.366
MAR-TRE-9c797165-48
0.365
MAR-TRE-3e4e6814-59
0.365
MAR-TRE-2fd8122f-37
0.362
MAR-TRE-04c86cea-97
0.359
CHA-MCP-85291e1d-2
0.359
MAR-TRE-7f7bb9f0-81
0.357
CHA-MCP-85291e1d-5
0.355
MAR-TRE-2fd8122f-78
0.352
MAR-TRE-67513f76-81
0.351
MAR-TRE-b77b7921-80
0.351
MAR-TRE-3e4e6814-50
0.344
MAR-TRE-9c797165-57
0.343
JOH-IMS-62aeb97d-5
0.342
MAR-TRE-67513f76-93
0.341
MAR-TRE-7f7bb9f0-38
0.340
SAD-SAT-f25ee457-7
0.337
MAR-TRE-7f7bb9f0-82
0.337
MAR-TRE-67513f76-97
0.333
MAR-TRE-3e4e6814-67
0.333
KEI-TRE-d5e2018a-92
0.330
MAR-TRE-b77b7921-74
0.330
MAR-TRE-7f7bb9f0-49
0.330
MAR-TRE-2fd8122f-80
0.327
CHR-SOS-e960e883-3
0.327
MAR-TRE-67513f76-87
0.326
SAD-SAT-24589cd1-4
0.326
MAR-TRE-b77b7921-81
0.325
TAM-UNI-c140e31a-12
0.324
MAR-TRE-7f7bb9f0-15
0.324
MAR-TRE-fd17a9b8-39
0.324
MAR-TRE-4b834d9a-82
0.324
CHR-SOS-70e4c98a-7
0.324
MAR-TRE-3e4e6814-100
0.324
CHR-SOS-70e4c98a-11
0.323
MAR-TRE-9c797165-12
0.323
EDG-MED-0da5ad92-2
0.322
ALE-HEI-f28a35b5-5
0.322
TAM-UNI-c140e31a-14
0.321
CHR-SOS-e960e883-2
0.320
SAD-SAT-135344c3-10
0.320
MAR-TRE-74c6519b-68
0.320
SAD-SAT-f25ee457-8
0.320
MAR-TRE-04c86cea-81
0.320
MAK-UNK-a7b37c5e-5
0.318
CHR-SOS-70e4c98a-9
0.317
TAM-UNI-c140e31a-13
0.317
MAR-TRE-4b834d9a-77
0.317
TAM-UNI-c140e31a-1
0.315
CHR-SOS-e960e883-1
0.314
MAR-TRE-04c86cea-64
0.314
SAN-PRS-52b81272-2
0.314
MAR-TRE-7f7bb9f0-97
0.313
MAR-TRE-74c6519b-58
0.313
MAR-TRE-2fd8122f-2
0.313
MAR-TRE-b77b7921-17
0.312
TAM-UNI-c140e31a-3
0.312
MAK-UNK-ca11b4f7-3
0.312
MAR-TRE-2fd8122f-83
0.311
MAR-TRE-2fd8122f-93
0.311
MAD-FNM-74857450-1
0.311
CHR-SOS-70e4c98a-4
0.311
MAR-TRE-9c797165-87
0.311
MAR-TRE-d0525fbf-33
0.311
TAM-UNI-c140e31a-7
0.311
MAK-UNK-c749d764-17
0.311
DAR-DIA-23aa0b97-16
0.311
MAR-TRE-7f7bb9f0-6
0.311
MAR-TRE-b77b7921-83
0.310
KEI-TRE-d5e2018a-89
0.310
PET-SGC-d0156db4-2
0.310
SER-UNI-985a0e14-1
0.310
MAR-TRE-2fd8122f-99
0.309
MAR-TRE-2fd8122f-57
0.309
MAR-TRE-d0525fbf-91
0.309
TAM-UNI-c140e31a-6
0.308
MAR-TRE-2fd8122f-20
0.308
MAR-TRE-04c86cea-51
0.308
DAR-DIA-842b4336-13
0.308
DAR-DIA-842b4336-11
0.308
DAR-DIA-842b4336-12
0.308
MAR-TRE-04c86cea-7
0.307
MAK-UNK-a7b37c5e-4
0.307
CHR-SOS-70e4c98a-12
0.306
KAL-WAB-eb347ebe-1
0.305
MAR-TRE-2fd8122f-62
0.305
CHR-SOS-70e4c98a-2
0.305
MAR-TRE-4b834d9a-97
0.305
FRA-FAC-9ed5a63a-2
0.304
MED-UNK-e6e8ef8a-2
0.304
MAR-TRE-4b834d9a-16
0.304
KEI-TRE-d5e2018a-68
0.304
KEI-TRE-d5e2018a-7
0.304
AUS-ARG-7cfdce8f-11
0.303
MAR-TRE-2fd8122f-98
0.303