Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 |
MW: | 417.14 |
Fraction sp3: | 0.4 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 97.83 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z31790951 |
Hetero_hetero
MAR-TRE-d0525fbf-90
0.608
KEI-TRE-d5e2018a-73
0.591
KEI-TRE-d5e2018a-38
0.549
MAK-UNK-009ebe36-6
0.543
MAR-TRE-74c6519b-66
0.536
MAR-TRE-2fd8122f-29
0.522
MAR-TRE-2fd8122f-19
0.505
MAR-TRE-3e4e6814-54
0.500
SAD-SAT-f2e2579e-7
0.469
MAR-TRE-6a44bbf2-36
0.461
MAK-UNK-7c9d1431-2
0.461
MAR-TRE-04c86cea-35
0.457
MAR-TRE-2fd8122f-13
0.451
MAR-TRE-7f7bb9f0-27
0.449
MAR-TRE-2fd8122f-92
0.449
KEI-TRE-d5e2018a-30
0.449
MAR-TRE-04c86cea-17
0.447
MAR-TRE-f6f5f473-23
0.442
MAR-TRE-04c86cea-46
0.441
LON-WEI-120e5cf5-11
0.437
MAR-TRE-2fd8122f-59
0.433
MAR-TRE-d0525fbf-14
0.418
KEI-TRE-d5e2018a-79
0.418
SAD-SAT-f2e2579e-2
0.413
MAR-TRE-f6f5f473-25
0.402
KEI-TRE-d5e2018a-10
0.402
KEI-TRE-d5e2018a-1
0.402
MAK-UNK-69bf97dd-2
0.394
MAR-TRE-d0525fbf-54
0.394
KEI-TRE-d5e2018a-61
0.394
MAR-TRE-04c86cea-49
0.394
KEI-TRE-d5e2018a-53
0.392
KEI-TRE-d5e2018a-22
0.392
MAR-TRE-6a44bbf2-38
0.391
MAK-UNK-7c9d1431-1
0.391
KEI-TRE-d5e2018a-97
0.390
KEI-TRE-d5e2018a-9
0.390
KEI-TRE-d5e2018a-13
0.390
MAR-TRE-2fd8122f-15
0.388
MAR-TRE-9c797165-80
0.382
SAD-SAT-135344c3-2
0.381
KEI-TRE-d5e2018a-32
0.379
MAR-TRE-3e4e6814-34
0.379
MAR-TRE-2fd8122f-18
0.376
MAK-UNK-009ebe36-2
0.374
MAK-UNK-009ebe36-3
0.374
SAD-SAT-135344c3-4
0.374
SAD-SAT-135344c3-5
0.370
MAK-UNK-009ebe36-7
0.369
KEI-TRE-d5e2018a-65
0.366
MAR-TRE-2fd8122f-27
0.365
MAR-TRE-fd17a9b8-92
0.364
MAR-TRE-d0525fbf-45
0.360
MAR-TRE-2fd8122f-31
0.360
KEI-TRE-d5e2018a-52
0.360
MAR-TRE-2fd8122f-8
0.359
MAR-TRE-7f7bb9f0-92
0.359
MAR-TRE-67513f76-51
0.356
MAR-TRE-2fd8122f-10
0.353
MAR-TRE-4b834d9a-42
0.353
KEI-TRE-d5e2018a-46
0.352
MAR-TRE-3e4e6814-80
0.351
MAR-TRE-2fd8122f-42
0.350
MAR-TRE-7f7bb9f0-33
0.347
MAR-TRE-2fd8122f-55
0.346
MAR-TRE-7f7bb9f0-18
0.343
ALE-MCD-4ac17b19-1
0.343
KEI-TRE-d5e2018a-15
0.343
KEI-TRE-d5e2018a-49
0.343
BEN-DND-031a96cc-3
0.340
MAR-TRE-2fd8122f-6
0.340
MAR-TRE-4b834d9a-63
0.340
BEN-DND-031a96cc-2
0.337
BEN-DND-031a96cc-1
0.337
MAR-TRE-b77b7921-40
0.333
JAG-UCB-a3ef7265-7
0.333
KEI-TRE-d5e2018a-94
0.333
MAR-TRE-b77b7921-83
0.330
MAR-TRE-2fd8122f-35
0.330
BEN-DND-362d364a-10
0.330
SAD-SAT-2fd372d1-7
0.330
DRA-CSI-7ec17797-18
0.327
MAR-TRE-2fd8122f-16
0.327
MAR-TRE-3e4e6814-92
0.327
MAR-TRE-b77b7921-66
0.325
MAR-TRE-2fd8122f-71
0.324
MAR-TRE-2fd8122f-74
0.324
MAR-TRE-2fd8122f-64
0.324
MAR-TRE-f6f5f473-78
0.323
MAR-TRE-2fd8122f-81
0.323
JOH-IMS-62aeb97d-3
0.322
MAK-UNK-009ebe36-5
0.321
SAD-SAT-135344c3-3
0.320
MAR-TRE-2fd8122f-22
0.320
NAU-LAT-64f4b287-10
0.320
TAM-UNI-c140e31a-14
0.318
MAR-TRE-67513f76-20
0.316
KAY-MCD-59dc2eb3-1
0.316
MAR-TRE-9c797165-46
0.315
MAK-UNK-009ebe36-1
0.315