Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(C2CCCC2)c2ncccc21)NCc1cccc(F)c1 |
MW: | 368.16 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1512520251 |
MolPort: | MolPort-010-917-528 |
MAR-TRE-f6f5f473-45
0.949
MAR-TRE-04c86cea-63
0.750
MAR-TRE-f6f5f473-72
0.747
MAR-TRE-f6f5f473-96
0.747
MAR-TRE-04c86cea-20
0.707
MAR-TRE-f6f5f473-43
0.698
MAR-TRE-f6f5f473-82
0.698
MAR-TRE-04c86cea-36
0.690
MAR-TRE-3e4e6814-19
0.678
MAR-TRE-04c86cea-56
0.674
MAR-TRE-04c86cea-9
0.663
MAR-TRE-f6f5f473-88
0.663
MAR-TRE-3e4e6814-33
0.659
MAR-TRE-f6f5f473-16
0.656
MAR-TRE-f6f5f473-62
0.652
MAR-TRE-74c6519b-16
0.645
MAR-TRE-f6f5f473-26
0.641
MAR-TRE-4b834d9a-69
0.609
MAR-TRE-04c86cea-60
0.609
MAR-TRE-f6f5f473-50
0.596
MAR-TRE-4b834d9a-2
0.596
MAR-TRE-f6f5f473-22
0.589
MAR-TRE-04c86cea-25
0.577
MAR-TRE-4b834d9a-25
0.571
MAR-TRE-d0525fbf-8
0.571
MAR-TRE-4b834d9a-21
0.531
MAR-TRE-04c86cea-89
0.525
MAR-TRE-4b834d9a-20
0.510
MAR-TRE-04c86cea-11
0.500
MAR-TRE-74c6519b-70
0.495
MAR-TRE-d0525fbf-68
0.462
MAR-TRE-b77b7921-11
0.454
MAR-TRE-3e4e6814-2
0.443
MAR-TRE-3e4e6814-73
0.440
MAR-TRE-4b834d9a-60
0.439
MAR-TRE-74c6519b-25
0.434
MAR-TRE-04c86cea-58
0.434
MAR-TRE-d0525fbf-6
0.430
MAR-TRE-74c6519b-30
0.427
MAR-TRE-d0525fbf-70
0.426
MAR-TRE-b77b7921-8
0.426
MAR-TRE-04c86cea-33
0.426
MAR-TRE-04c86cea-52
0.426
MAR-TRE-4b834d9a-3
0.426
MAR-TRE-7f7bb9f0-3
0.425
MAR-TRE-f6f5f473-94
0.423
MAR-TRE-67513f76-11
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MAR-TRE-74c6519b-8
0.419
MAR-TRE-4b834d9a-22
0.415
MAR-TRE-4b834d9a-35
0.413
MAR-TRE-f6f5f473-17
0.413
MAR-TRE-7f7bb9f0-70
0.411
MAR-TRE-d0525fbf-21
0.410
MAR-TRE-b77b7921-59
0.408
MAR-TRE-b77b7921-10
0.407
MAR-TRE-4b834d9a-12
0.406
MAR-TRE-d0525fbf-37
0.406
MAR-TRE-7f7bb9f0-22
0.406
MAR-TRE-b77b7921-27
0.406
MAR-TRE-d0525fbf-22
0.404
MAR-TRE-b77b7921-7
0.404
MAR-TRE-b77b7921-43
0.402
MAR-TRE-4b834d9a-36
0.402
MAR-TRE-74c6519b-45
0.398
MAR-TRE-f6f5f473-55
0.398
MAR-TRE-f6f5f473-34
0.398
MAR-TRE-7f7bb9f0-7
0.396
MAR-TRE-4b834d9a-18
0.396
MAR-TRE-b77b7921-20
0.394
MAR-TRE-04c86cea-80
0.394
MAR-TRE-3e4e6814-4
0.391
MAR-TRE-74c6519b-7
0.391
MAR-TRE-b77b7921-48
0.391
MAR-TRE-9c797165-23
0.390
MAR-TRE-4b834d9a-23
0.390
MAR-TRE-d0525fbf-39
0.389
MAR-TRE-67513f76-62
0.389
MAR-TRE-04c86cea-6
0.389
MAR-TRE-d0525fbf-5
0.387
MAR-TRE-4b834d9a-54
0.387
MAR-TRE-3e4e6814-75
0.386
MAR-TRE-04c86cea-21
0.385
MAR-TRE-f6f5f473-20
0.385
MAR-TRE-d0525fbf-2
0.384
MAR-TRE-b77b7921-54
0.384
MAR-TRE-d0525fbf-79
0.383
MAR-TRE-3e4e6814-21
0.383
MAK-UNK-942dcb71-3
0.383
MAR-TRE-4b834d9a-10
0.382
MAR-TRE-04c86cea-45
0.381
MAR-TRE-3e4e6814-14
0.381
MAR-TRE-74c6519b-39
0.381
MAR-TRE-7f7bb9f0-1
0.381
MAR-TRE-d0525fbf-44
0.381
MAR-TRE-3159af1a-53
0.380
MAR-TRE-4b834d9a-14
0.377
MAR-TRE-7f7bb9f0-73
0.377
MAR-TRE-f6f5f473-53
0.375
MAR-TRE-3e4e6814-5
0.374
MAR-TRE-67513f76-72
0.372