Molecular Properties | |
SMILES: | C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3cccnc3)ccc2N1C(=O)C1CC1 |
MW: | 428.15 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 108.47 |
cLogP: | 2.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-b77b7921-66
0.699
MAR-TRE-b77b7921-40
0.639
MAR-TRE-b77b7921-81
0.639
MAR-TRE-2fd8122f-17
0.394
MAR-TRE-2fd8122f-83
0.387
TAM-UNI-c140e31a-14
0.370
MAR-TRE-9c797165-57
0.369
TAM-UNI-c140e31a-13
0.368
ALE-HEI-f28a35b5-14
0.364
MAR-TRE-d0525fbf-33
0.361
TAM-UNI-c140e31a-7
0.361
MAR-TRE-7f7bb9f0-15
0.361
TAM-UNI-c140e31a-12
0.361
MAR-TRE-04c86cea-31
0.355
MAR-TRE-2fd8122f-2
0.353
MAR-TRE-9c797165-48
0.350
MAR-TRE-3e4e6814-59
0.350
MAR-TRE-b77b7921-80
0.350
MAR-TRE-7f7bb9f0-82
0.349
MAR-TRE-2fd8122f-37
0.347
MAR-TRE-74c6519b-81
0.343
MAR-TRE-7f7bb9f0-81
0.343
JOH-IMS-62aeb97d-5
0.341
MAR-TRE-7f7bb9f0-38
0.339
TAM-UNI-c140e31a-1
0.339
DAR-DIA-842b4336-11
0.337
CHR-SOS-70e4c98a-11
0.337
MAR-TRE-2fd8122f-72
0.337
CHR-SOS-70e4c98a-7
0.336
KEI-TRE-d5e2018a-73
0.336
MAR-TRE-b77b7921-17
0.336
CHA-MCP-85291e1d-4
0.333
MAR-TRE-74c6519b-66
0.333
MED-UNK-e6e8ef8a-3
0.333
TAM-UNI-c140e31a-6
0.333
BEN-DND-362d364a-10
0.333
MAR-TRE-2fd8122f-33
0.330
MAR-TRE-2fd8122f-98
0.330
MAR-TRE-04c86cea-97
0.330
THO-SYG-f9b2970d-5
0.328
KEI-TRE-d5e2018a-79
0.327
MAR-TRE-d0525fbf-14
0.327
CHR-SOS-70e4c98a-5
0.327
MAR-TRE-d0525fbf-90
0.327
MED-UNK-e6e8ef8a-4
0.327
FRA-FAC-9ed5a63a-1
0.326
MAK-UNK-a7b37c5e-1
0.326
AAR-POS-d2a4d1df-13
0.326
ALE-HEI-f28a35b5-9
0.326
MAK-UNK-ca11b4f7-1
0.326
MAR-TRE-04c86cea-40
0.325
MAR-TRE-04c86cea-17
0.324
MAK-UNK-009ebe36-2
0.324
MAR-TRE-d0525fbf-64
0.324
PET-SGC-d0156db4-2
0.324
MAR-TRE-2fd8122f-27
0.323
MAR-TRE-04c86cea-35
0.321
MAR-TRE-f6f5f473-23
0.321
MAR-TRE-74c6519b-42
0.321
LON-WEI-120e5cf5-11
0.320
MAR-TRE-2fd8122f-3
0.319
MAK-UNK-b2c98f02-9
0.319
CHR-SOS-70e4c98a-12
0.319
MAR-TRE-2fd8122f-30
0.318
MAR-TRE-3e4e6814-54
0.318
CHR-SOS-70e4c98a-9
0.318
CHR-SOS-70e4c98a-2
0.318
MAR-TRE-67513f76-81
0.318
MAR-TRE-b77b7921-74
0.317
MAR-TRE-3e4e6814-50
0.317
CHA-MCP-85291e1d-2
0.317
MAR-TRE-7f7bb9f0-30
0.316
MAR-TRE-2fd8122f-95
0.316
MAR-TRE-2fd8122f-59
0.315
KEI-TRE-d5e2018a-97
0.315
SAN-PRS-52b81272-2
0.315
KEI-TRE-d5e2018a-45
0.314
TAM-UNI-c140e31a-10
0.314
MAR-TRE-67513f76-87
0.314
MAR-TRE-9c797165-52
0.314
CHA-MCP-85291e1d-5
0.314
MAK-UNK-c749d764-13
0.314
MAK-UNK-b2c98f02-8
0.314
PET-SGC-59809fea-1
0.314
THO-SYG-f9b2970d-6
0.313
CHR-SOS-70e4c98a-4
0.312
MAR-TRE-67513f76-22
0.312
MAR-TRE-2fd8122f-13
0.311
MAR-TRE-74c6519b-91
0.311
NAU-LAT-64f4b287-10
0.311
HAR-NEW-e34cb1ae-7
0.310
MAR-TRE-2fd8122f-78
0.310
CHR-SOS-70e4c98a-6
0.310
MAR-TRE-2fd8122f-70
0.310
MAR-TRE-7f7bb9f0-76
0.310
MED-UNK-e6e8ef8a-5
0.309
EDG-MED-0da5ad92-2
0.309
MED-UNK-e6e8ef8a-6
0.309
THO-SYG-f9b2970d-1
0.309
MAR-TRE-f6f5f473-36
0.309