Molecular Properties | |
SMILES: | C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)Nc3cccnc3)ccc2N1C(=O)C1CC1 |
MW: | 413.14 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 96.44 |
cLogP: | 2.57 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAR-TRE-b77b7921-83
0.699
MAR-TRE-b77b7921-40
0.653
MAR-TRE-d0525fbf-33
0.495
MAR-TRE-b77b7921-17
0.457
MAR-TRE-b77b7921-81
0.440
MAR-TRE-04c86cea-7
0.435
MAR-TRE-04c86cea-97
0.379
TAM-UNI-c140e31a-14
0.377
ALE-HEI-f28a35b5-14
0.372
TAM-UNI-c140e31a-12
0.368
MAR-TRE-04c86cea-31
0.362
MAR-TRE-2fd8122f-72
0.356
MAR-TRE-2fd8122f-37
0.354
JOH-IMS-62aeb97d-5
0.349
MAR-TRE-2fd8122f-17
0.349
MAR-TRE-04c86cea-38
0.349
MAR-TRE-2fd8122f-27
0.344
DAR-DIA-842b4336-11
0.344
MAR-TRE-7f7bb9f0-15
0.343
MED-UNK-e6e8ef8a-3
0.340
CHA-MCP-85291e1d-4
0.340
BEN-DND-362d364a-10
0.339
MAR-TRE-9c797165-57
0.337
TAM-UNI-c140e31a-13
0.336
MAR-TRE-7f7bb9f0-30
0.333
MED-UNK-e6e8ef8a-4
0.333
ALE-HEI-f28a35b5-9
0.333
AAR-POS-d2a4d1df-13
0.333
FRA-FAC-9ed5a63a-1
0.333
MAR-TRE-04c86cea-40
0.330
KEI-TRE-d5e2018a-73
0.330
TAM-UNI-c140e31a-7
0.330
MAR-TRE-2fd8122f-83
0.330
MAR-TRE-04c86cea-17
0.330
MAR-TRE-9c797165-48
0.330
MAR-TRE-74c6519b-66
0.328
TAM-UNI-c140e31a-6
0.327
MAR-TRE-04c86cea-35
0.327
MAR-TRE-f6f5f473-23
0.327
MAR-TRE-67513f76-81
0.325
MAR-TRE-2fd8122f-33
0.325
KEI-TRE-d5e2018a-92
0.324
MAR-TRE-2fd8122f-98
0.324
MAR-TRE-b77b7921-74
0.324
MAR-TRE-3e4e6814-50
0.323
CHA-MCP-85291e1d-2
0.323
SAN-PRS-52b81272-2
0.322
TAM-UNI-c140e31a-1
0.321
MAR-TRE-d0525fbf-14
0.321
MAR-TRE-2fd8122f-59
0.321
KEI-TRE-d5e2018a-79
0.321
MAR-TRE-2fd8122f-2
0.320
MAR-TRE-67513f76-87
0.320
MAK-UNK-c749d764-13
0.320
MAR-TRE-9c797165-52
0.320
MAR-TRE-d0525fbf-90
0.320
MAK-UNK-a7b37c5e-1
0.319
KEI-TRE-d5e2018a-4
0.318
CHR-SOS-70e4c98a-7
0.318
MAR-TRE-7f7bb9f0-82
0.318
MAK-UNK-ca11b4f7-1
0.318
CHR-SOS-70e4c98a-11
0.317
MAR-TRE-2fd8122f-13
0.317
MAR-TRE-b77b7921-80
0.317
MAR-TRE-3e4e6814-59
0.317
MAR-TRE-2fd8122f-58
0.317
MAR-TRE-74c6519b-91
0.317
NAU-LAT-64f4b287-10
0.317
MAR-TRE-2fd8122f-78
0.316
MED-UNK-e6e8ef8a-5
0.316
MAR-TRE-2fd8122f-20
0.315
SAD-SAT-135344c3-5
0.315
MAR-TRE-f6f5f473-36
0.315
MAR-TRE-67513f76-92
0.314
MAR-TRE-3e4e6814-28
0.314
MAR-TRE-74c6519b-42
0.314
MAR-TRE-3e4e6814-67
0.314
MAR-TRE-3e4e6814-80
0.314
KEI-TRE-d5e2018a-1
0.314
ALB-THE-e2bfce8e-1
0.314
MAR-TRE-67513f76-73
0.313
LON-WEI-120e5cf5-11
0.313
KEI-TRE-d5e2018a-18
0.313
KEI-TRE-d5e2018a-33
0.313
MED-UNK-e6e8ef8a-2
0.312
FRA-FAC-9ed5a63a-2
0.312
KEI-TRE-d5e2018a-65
0.312
MAR-TRE-7f7bb9f0-12
0.312
MAR-TRE-3e4e6814-54
0.312
MAR-TRE-04c86cea-49
0.312
MAR-TRE-2fd8122f-30
0.312
MAR-TRE-74c6519b-81
0.311
MAR-TRE-9c797165-14
0.311
MAR-TRE-04c86cea-46
0.311
KEI-TRE-d5e2018a-68
0.311
THO-SYG-f9b2970d-5
0.310
MAR-TRE-7f7bb9f0-90
0.310
MAR-TRE-7f7bb9f0-49
0.309
MAR-TRE-7f7bb9f0-74
0.309
KEI-TRE-d5e2018a-97
0.309