Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)Cn2c(=O)n(C3CCCC3)c3ncccc32)cc1 |
MW: | 364.19 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 2.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3762396031 |
MolPort: | MolPort-010-917-548 |
MAR-TRE-f6f5f473-88
0.946
MAR-TRE-04c86cea-56
0.812
MAR-TRE-04c86cea-63
0.810
MAR-TRE-04c86cea-36
0.810
MAR-TRE-f6f5f473-16
0.768
MAR-TRE-f6f5f473-62
0.762
MAR-TRE-f6f5f473-82
0.753
MAR-TRE-f6f5f473-72
0.721
MAR-TRE-04c86cea-72
0.698
MAR-TRE-3e4e6814-33
0.671
MAR-TRE-f6f5f473-45
0.663
MAR-TRE-f6f5f473-96
0.663
MAR-TRE-04c86cea-20
0.645
MAR-TRE-3e4e6814-19
0.633
MAR-TRE-f6f5f473-26
0.633
MAR-TRE-f6f5f473-50
0.622
MAR-TRE-04c86cea-25
0.620
MAR-TRE-74c6519b-16
0.602
MAR-TRE-04c86cea-9
0.602
MAR-TRE-f6f5f473-34
0.591
MAR-TRE-74c6519b-30
0.571
MAR-TRE-3e4e6814-21
0.565
MAR-TRE-04c86cea-89
0.562
MAR-TRE-74c6519b-73
0.558
MAR-TRE-f6f5f473-66
0.539
MAR-TRE-f6f5f473-17
0.538
MAR-TRE-04c86cea-11
0.536
MAR-TRE-f6f5f473-55
0.522
MAR-TRE-74c6519b-6
0.516
MAR-TRE-74c6519b-39
0.516
MAR-TRE-74c6519b-5
0.495
MAR-TRE-04c86cea-73
0.485
MAR-TRE-04c86cea-80
0.484
MAR-TRE-b77b7921-54
0.478
MAR-TRE-4b834d9a-60
0.473
MAR-TRE-f6f5f473-22
0.470
MAR-TRE-f6f5f473-21
0.465
MAR-TRE-b77b7921-48
0.461
MAR-TRE-3e4e6814-11
0.460
MAR-TRE-f6f5f473-20
0.458
MAR-TRE-04c86cea-21
0.458
MAR-TRE-04c86cea-52
0.458
MAR-TRE-f6f5f473-94
0.457
MAR-TRE-04c86cea-3
0.455
MAR-TRE-4b834d9a-5
0.455
MAR-TRE-4b834d9a-18
0.455
MAR-TRE-4b834d9a-39
0.452
MAR-TRE-b77b7921-45
0.451
MAR-TRE-d0525fbf-9
0.450
MAR-TRE-d0525fbf-37
0.450
MAR-TRE-b77b7921-5
0.447
MAR-TRE-b77b7921-7
0.447
MAR-TRE-04c86cea-66
0.447
MAR-TRE-3e4e6814-60
0.446
MAR-TRE-4b834d9a-35
0.444
MAR-TRE-04c86cea-33
0.442
MAR-TRE-3e4e6814-14
0.439
MAR-TRE-f6f5f473-12
0.436
MAR-TRE-4b834d9a-23
0.434
MAR-TRE-3e4e6814-86
0.434
MAR-TRE-74c6519b-92
0.434
MAR-TRE-b77b7921-4
0.434
MAR-TRE-3e4e6814-2
0.433
MAR-TRE-3e4e6814-4
0.433
MAR-TRE-3e4e6814-25
0.431
MAR-TRE-04c86cea-6
0.431
MAR-TRE-f6f5f473-68
0.430
MAR-TRE-3e4e6814-73
0.429
MAR-TRE-74c6519b-70
0.427
MAR-TRE-b77b7921-11
0.427
MAR-TRE-67513f76-11
0.424
MAR-TRE-b77b7921-20
0.423
MAR-TRE-4b834d9a-14
0.420
MAR-TRE-3e4e6814-5
0.419
MAR-TRE-04c86cea-70
0.417
MAR-TRE-4b834d9a-6
0.416
MAR-TRE-f6f5f473-54
0.412
MAR-TRE-04c86cea-74
0.410
MAR-TRE-74c6519b-25
0.408
MAR-TRE-74c6519b-75
0.408
MAR-TRE-b77b7921-3
0.408
MAR-TRE-04c86cea-1
0.408
MAR-TRE-3e4e6814-12
0.404
MAR-TRE-d0525fbf-8
0.402
MAR-TRE-7f7bb9f0-3
0.400
MAR-TRE-74c6519b-45
0.400
MAR-TRE-3e4e6814-26
0.398
MAR-TRE-d0525fbf-79
0.398
MAR-TRE-4b834d9a-69
0.398
MAR-TRE-04c86cea-60
0.398
MAR-TRE-3e4e6814-70
0.396
MAR-TRE-4b834d9a-2
0.394
MAR-TRE-d0525fbf-6
0.393
MAR-TRE-04c86cea-12
0.393
MAR-TRE-d0525fbf-39
0.390
MAR-TRE-4b834d9a-4
0.390
MAR-TRE-4b834d9a-11
0.390
MAR-TRE-4b834d9a-22
0.390
MAR-TRE-04c86cea-4
0.390
MAR-TRE-f6f5f473-53
0.390