Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(C2CCCCC2)c2ncccc21)NCc1ccccc1F |
MW: | 382.18 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8528967869 |
MolPort: | MolPort-010-917-505 |
MAR-TRE-04c86cea-9
0.770
MAR-TRE-f6f5f473-50
0.756
MAR-TRE-74c6519b-16
0.750
MAR-TRE-04c86cea-25
0.730
MAR-TRE-3e4e6814-19
0.727
MAR-TRE-f6f5f473-82
0.690
MAR-TRE-f6f5f473-16
0.667
MAR-TRE-f6f5f473-45
0.663
MAR-TRE-04c86cea-63
0.663
MAR-TRE-f6f5f473-88
0.656
MAR-TRE-3e4e6814-33
0.652
MAR-TRE-f6f5f473-62
0.645
MAR-TRE-f6f5f473-72
0.645
MAR-TRE-04c86cea-36
0.644
MAR-TRE-04c86cea-72
0.641
MAR-TRE-f6f5f473-43
0.633
MAR-TRE-f6f5f473-96
0.628
MAR-TRE-04c86cea-56
0.613
MAR-TRE-04c86cea-45
0.604
MAR-TRE-04c86cea-20
0.596
MAR-TRE-4b834d9a-54
0.591
MAR-TRE-04c86cea-89
0.582
MAR-TRE-f6f5f473-12
0.579
MAR-TRE-4b834d9a-99
0.567
MAR-TRE-d0525fbf-3
0.561
MAR-TRE-4b834d9a-33
0.543
MAR-TRE-04c86cea-11
0.525
MAR-TRE-4b834d9a-15
0.500
MAR-TRE-04c86cea-74
0.500
MAR-TRE-4b834d9a-9
0.485
MAR-TRE-b77b7921-27
0.471
MAR-TRE-4b834d9a-36
0.466
MAR-TRE-d0525fbf-21
0.461
MAR-TRE-7f7bb9f0-22
0.456
MAR-TRE-4b834d9a-76
0.447
MAR-TRE-b77b7921-20
0.443
MAR-TRE-74c6519b-86
0.442
MAR-TRE-3e4e6814-4
0.439
MAR-TRE-04c86cea-69
0.436
MAR-TRE-b77b7921-59
0.431
MAR-TRE-d0525fbf-2
0.431
MAR-TRE-7f7bb9f0-1
0.427
MAR-TRE-f6f5f473-53
0.426
MAR-TRE-b77b7921-43
0.425
MAR-TRE-f6f5f473-68
0.423
MAR-TRE-04c86cea-70
0.411
MAR-TRE-7f7bb9f0-73
0.411
MAR-TRE-d0525fbf-12
0.407
MAR-TRE-4b834d9a-55
0.400
MAR-TRE-3e4e6814-73
0.394
MAR-TRE-04c86cea-52
0.394
MAR-TRE-04c86cea-60
0.393
MAR-TRE-4b834d9a-8
0.392
MAR-TRE-4b834d9a-60
0.392
MAR-TRE-f6f5f473-94
0.390
MAR-TRE-d0525fbf-44
0.389
MAR-TRE-9c797165-23
0.387
MAR-TRE-4b834d9a-95
0.386
MAR-TRE-67513f76-62
0.385
MAR-TRE-74c6519b-30
0.383
MAR-TRE-4b834d9a-35
0.383
MAR-TRE-74c6519b-78
0.382
MAR-TRE-3e4e6814-75
0.382
MAR-TRE-74c6519b-70
0.382
MAR-TRE-04c86cea-21
0.381
MAR-TRE-f6f5f473-34
0.381
MAR-TRE-4b834d9a-69
0.380
MAR-TRE-7f7bb9f0-9
0.378
MAR-TRE-d0525fbf-4
0.378
MAR-TRE-67513f76-11
0.377
MAR-TRE-d0525fbf-71
0.377
MAR-TRE-7f7bb9f0-5
0.375
MAR-TRE-d0525fbf-43
0.375
MAR-TRE-74c6519b-77
0.375
MAR-TRE-b77b7921-19
0.374
MAR-TRE-3159af1a-5
0.371
MAR-TRE-9c797165-25
0.370
MAR-TRE-f6f5f473-17
0.370
MAR-TRE-f6f5f473-22
0.369
MAR-TRE-d0525fbf-38
0.369
MAR-TRE-f6f5f473-20
0.368
MAR-TRE-f6f5f473-55
0.368
MAR-TRE-9c797165-85
0.367
MAR-TRE-d0525fbf-37
0.364
MAR-TRE-9c797165-78
0.362
MAR-TRE-4b834d9a-23
0.361
MAR-TRE-74c6519b-92
0.361
MAR-TRE-74c6519b-10
0.361
MAR-TRE-3e4e6814-60
0.360
MAR-TRE-d0525fbf-8
0.360
MAR-TRE-7f7bb9f0-3
0.357
MAR-TRE-7f7bb9f0-70
0.357
MAR-TRE-3e4e6814-18
0.356
MAR-TRE-d0525fbf-28
0.355
MAR-TRE-d0525fbf-79
0.355
MAR-TRE-3e4e6814-21
0.355
MAR-TRE-04c86cea-80
0.352
MAR-TRE-74c6519b-39
0.352
MAR-TRE-d0525fbf-9
0.351
MAR-TRE-b77b7921-29
0.351