Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 |
MW: | 351.07 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 2.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-2fd8122f-13
0.676
MAR-TRE-04c86cea-46
0.658
MAR-TRE-04c86cea-17
0.641
MAR-TRE-04c86cea-35
0.633
MAR-TRE-f6f5f473-23
0.633
MAK-UNK-009ebe36-9
0.627
MAR-TRE-d0525fbf-54
0.575
MAR-TRE-d0525fbf-90
0.469
MAR-TRE-2fd8122f-8
0.451
MAR-TRE-2fd8122f-19
0.433
MAK-UNK-69bf97dd-10
0.421
MAR-TRE-2fd8122f-29
0.418
MAR-TRE-3e4e6814-54
0.413
LON-WEI-120e5cf5-11
0.410
KEI-TRE-d5e2018a-73
0.404
MAR-TRE-2fd8122f-27
0.403
KEI-TRE-d5e2018a-38
0.400
MAR-TRE-4b834d9a-65
0.398
MAR-TRE-2fd8122f-33
0.394
KEI-TRE-d5e2018a-79
0.394
MAR-TRE-d0525fbf-14
0.394
MAR-TRE-f6f5f473-6
0.387
MAR-TRE-74c6519b-66
0.382
KEI-TRE-d5e2018a-97
0.379
MAK-UNK-009ebe36-5
0.375
BEN-DND-76ad4ac9-1
0.375
JOH-IMS-62aeb97d-3
0.370
FRA-FAC-9ed5a63a-1
0.370
AAR-POS-d2a4d1df-13
0.370
ALE-HEI-f28a35b5-9
0.370
SAD-SAT-135344c3-2
0.370
MAR-TRE-9c797165-80
0.369
MAK-UNK-009ebe36-1
0.367
MAR-TRE-2fd8122f-42
0.366
MAR-TRE-2fd8122f-18
0.364
MAR-TRE-7f7bb9f0-33
0.363
SAD-SAT-135344c3-3
0.362
MAR-TRE-2fd8122f-31
0.362
KEI-TRE-d5e2018a-15
0.359
MAR-TRE-7f7bb9f0-18
0.359
KEI-TRE-d5e2018a-49
0.357
MAK-UNK-5d2caa6f-1
0.356
MAR-TRE-2fd8122f-94
0.354
MAR-TRE-2fd8122f-16
0.354
MAR-TRE-2fd8122f-59
0.351
MAR-TRE-2fd8122f-64
0.351
MED-UNK-e6e8ef8a-7
0.349
NAU-LAT-64f4b287-10
0.348
KEI-TRE-d5e2018a-52
0.347
KEI-TRE-d5e2018a-94
0.347
MAK-UNK-6435e6c2-1
0.346
BEN-DND-03ad4429-6
0.346
SAD-SAT-2fd372d1-7
0.345
MAR-TRE-2fd8122f-44
0.344
MAR-TRE-2fd8122f-77
0.344
MAR-TRE-2fd8122f-30
0.340
MAR-TRE-2fd8122f-10
0.340
MAR-TRE-2fd8122f-6
0.340
MAR-TRE-4b834d9a-42
0.340
MAR-TRE-4b834d9a-63
0.340
MAR-TRE-2fd8122f-92
0.340
MAR-TRE-7f7bb9f0-27
0.340
KEI-TRE-d5e2018a-30
0.340
MAR-TRE-2fd8122f-81
0.337
WIL-UNI-5578df48-17
0.337
MAR-TRE-2fd8122f-50
0.337
SAD-SAT-f2e2579e-8
0.337
MAR-TRE-74c6519b-51
0.333
MAR-TRE-b77b7921-97
0.333
MED-UNK-e6e8ef8a-1
0.333
MAK-UNK-009ebe36-3
0.333
SAD-SAT-135344c3-4
0.333
MAK-UNK-009ebe36-4
0.333
MAK-UNK-009ebe36-7
0.330
BEN-DND-362d364a-10
0.330
MAR-TRE-2fd8122f-48
0.330
SAD-SAT-135344c3-5
0.330
MAR-TRE-2fd8122f-34
0.330
MAR-TRE-67513f76-20
0.330
BEN-DND-03406596-5
0.330
BEN-DND-76ad4ac9-13
0.330
MED-UNK-e6e8ef8a-3
0.329
MED-UNK-e6e8ef8a-2
0.329
FRA-FAC-9ed5a63a-2
0.329
ALE-HEI-f28a35b5-16
0.329
AAR-POS-d2a4d1df-22
0.329
LON-WEI-8f408cad-3
0.329
BEN-DND-03ad4429-7
0.329
MAK-UNK-10dfa458-4
0.329
MAR-TRE-6a44bbf2-52
0.329
BEN-DND-362d364a-11
0.327
MAK-UNK-10dfa458-26
0.325
ALE-HEI-f28a35b5-8
0.325
BEN-DND-03ad4429-5
0.325
MAR-TRE-2fd8122f-74
0.324
ZAC-WAB-d55a3c2e-2
0.323
ZAC-WAB-3baddbb3-1
0.323
MAR-TRE-2fd8122f-7
0.323
KEI-TRE-d5e2018a-32
0.323
MAR-TRE-3e4e6814-34
0.323