Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccnc3)C2)cc1 |
MW: | 359.13 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 2.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-04c86cea-17
0.789
MAR-TRE-04c86cea-35
0.778
MAR-TRE-04c86cea-46
0.761
MAR-TRE-2fd8122f-13
0.757
MAR-TRE-04c86cea-49
0.633
MAR-TRE-d0525fbf-54
0.619
MAK-UNK-009ebe36-3
0.549
MAR-TRE-2fd8122f-6
0.518
MAR-TRE-d0525fbf-90
0.513
KEI-TRE-d5e2018a-38
0.500
MAR-TRE-2fd8122f-8
0.489
KEI-TRE-d5e2018a-73
0.472
MAR-TRE-2fd8122f-29
0.455
MAR-TRE-2fd8122f-19
0.455
MAR-TRE-74c6519b-66
0.443
MAR-TRE-2fd8122f-33
0.442
SAD-SAT-135344c3-2
0.437
KEI-TRE-d5e2018a-79
0.429
MAR-TRE-d0525fbf-14
0.429
ALE-MCD-4ac17b19-1
0.425
SAD-SAT-135344c3-5
0.422
MAR-TRE-3e4e6814-54
0.418
LON-WEI-120e5cf5-11
0.415
KEI-TRE-d5e2018a-97
0.413
SAD-SAT-135344c3-4
0.411
MAR-TRE-2fd8122f-27
0.408
KEI-TRE-d5e2018a-32
0.402
MAR-TRE-3e4e6814-34
0.402
MAR-TRE-2fd8122f-30
0.402
MAK-UNK-009ebe36-9
0.396
MAR-TRE-f6f5f473-6
0.390
MAR-TRE-2fd8122f-10
0.387
MAR-TRE-4b834d9a-42
0.387
MAR-TRE-2fd8122f-42
0.385
MAR-TRE-2fd8122f-18
0.384
KEI-TRE-d5e2018a-13
0.383
MAR-TRE-2fd8122f-59
0.383
MAR-TRE-2fd8122f-64
0.383
MAR-TRE-2fd8122f-22
0.380
MAR-TRE-74c6519b-56
0.379
KEI-TRE-d5e2018a-88
0.379
KEI-TRE-d5e2018a-15
0.378
MAR-TRE-7f7bb9f0-18
0.378
MAR-TRE-2fd8122f-82
0.378
MAT-POS-b5746674-55
0.377
SIM-SYN-3099a863-3
0.376
KEI-TRE-d5e2018a-49
0.375
MAK-UNK-5d2caa6f-1
0.375
MAK-UNK-009ebe36-7
0.375
JOH-IMS-62aeb97d-3
0.375
MAR-TRE-9c797165-80
0.373
KEI-TRE-d5e2018a-53
0.371
MAR-TRE-7f7bb9f0-33
0.367
KEI-TRE-d5e2018a-10
0.366
MAK-UNK-009ebe36-2
0.366
MAR-TRE-d0525fbf-45
0.365
KEI-TRE-d5e2018a-94
0.365
KEI-TRE-d5e2018a-75
0.364
MAR-TRE-4b834d9a-63
0.358
KEI-TRE-d5e2018a-61
0.358
MAR-TRE-2fd8122f-16
0.357
KEI-TRE-d5e2018a-18
0.356
KEI-TRE-d5e2018a-22
0.355
MAR-TRE-2fd8122f-50
0.355
KEI-TRE-d5e2018a-9
0.354
MED-UNK-e6e8ef8a-1
0.354
KEI-TRE-d5e2018a-78
0.353
NAU-LAT-64f4b287-10
0.352
DRA-CSI-7ec17797-19
0.352
MAR-TRE-74c6519b-51
0.352
SAD-SAT-135344c3-3
0.351
MAR-TRE-2fd8122f-55
0.350
SAD-SAT-2fd372d1-7
0.349
MAR-TRE-67513f76-20
0.348
MAR-TRE-2fd8122f-24
0.347
MAR-TRE-67513f76-51
0.347
BEN-DND-362d364a-10
0.347
MAR-TRE-2fd8122f-48
0.347
MAK-UNK-009ebe36-6
0.347
SAD-SAT-cefd50cc-7
0.347
TAM-UNI-c140e31a-13
0.344
MAR-TRE-7f7bb9f0-27
0.343
MAR-TRE-2fd8122f-92
0.343
KEI-TRE-d5e2018a-30
0.343
KEI-TRE-d5e2018a-50
0.343
MAR-TRE-3e4e6814-80
0.343
MAR-TRE-2fd8122f-81
0.341
MAR-TRE-f6f5f473-84
0.341
ZAC-WAB-d55a3c2e-2
0.340
ZAC-WAB-3baddbb3-1
0.340
TAM-UNI-c140e31a-1
0.340
MED-UNK-e6e8ef8a-5
0.337
MED-UNK-e6e8ef8a-7
0.337
FRA-FAC-9ed5a63a-4
0.337
JAG-UCB-a3ef7265-7
0.337
MAR-TRE-b77b7921-97
0.337
KEI-TRE-d5e2018a-52
0.337
MAR-TRE-2fd8122f-15
0.337
TAM-UNI-c140e31a-7
0.337
MAK-UNK-009ebe36-5
0.337