Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)NC1CCCCC1 |
MW: | 365.19 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.29 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6742248305 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-74c6519b-3
0.687
MAR-TRE-74c6519b-61
0.663
MAR-TRE-04c86cea-6
0.633
MAR-TRE-d0525fbf-94
0.633
MAR-TRE-b77b7921-84
0.626
MAR-TRE-f6f5f473-59
0.620
MAR-TRE-b77b7921-7
0.613
MAR-TRE-b77b7921-26
0.613
MAR-TRE-74c6519b-64
0.613
MAR-TRE-b77b7921-5
0.613
MAR-TRE-04c86cea-27
0.613
MAR-TRE-b77b7921-8
0.606
MAR-TRE-f6f5f473-44
0.600
MAR-TRE-74c6519b-88
0.594
MAR-TRE-b77b7921-19
0.588
MAR-TRE-b77b7921-10
0.576
MAR-TRE-04c86cea-16
0.551
MAR-TRE-b77b7921-93
0.533
MAR-TRE-f6f5f473-89
0.516
MAR-TRE-f6f5f473-54
0.510
MAR-TRE-74c6519b-71
0.495
MAR-TRE-74c6519b-75
0.448
MAR-TRE-67513f76-94
0.447
MAR-TRE-3e4e6814-75
0.442
MAR-TRE-9c797165-92
0.420
MAR-TRE-7f7bb9f0-93
0.420
MAR-TRE-3e4e6814-14
0.420
MAR-TRE-04c86cea-8
0.417
MAR-TRE-4b834d9a-22
0.413
MAR-TRE-67513f76-76
0.412
MAR-TRE-4b834d9a-5
0.408
MAR-TRE-4b834d9a-47
0.408
MAR-TRE-4b834d9a-18
0.408
MAR-TRE-74c6519b-60
0.408
MAR-TRE-b77b7921-90
0.404
MAR-TRE-67513f76-52
0.404
MAR-TRE-4b834d9a-83
0.396
MAR-TRE-d0525fbf-38
0.396
MAR-TRE-04c86cea-10
0.394
MAR-TRE-d0525fbf-22
0.389
MAR-TRE-f6f5f473-15
0.387
MAR-TRE-b77b7921-13
0.385
MAR-TRE-3e4e6814-37
0.370
MAR-TRE-f6f5f473-88
0.368
MAR-TRE-b77b7921-16
0.365
MAR-TRE-b77b7921-22
0.364
MAR-TRE-f6f5f473-53
0.359
MAR-TRE-04c86cea-77
0.355
MAR-TRE-f6f5f473-72
0.355
MAR-TRE-f6f5f473-96
0.355
MAR-TRE-b77b7921-59
0.352
MAR-TRE-f6f5f473-82
0.349
MAR-TRE-3159af1a-49
0.343
MAR-TRE-f6f5f473-62
0.342
MAR-TRE-f6f5f473-45
0.342
MAR-TRE-f6f5f473-16
0.339
MAR-TRE-74c6519b-16
0.339
MAR-TRE-04c86cea-9
0.339
MAR-TRE-04c86cea-20
0.339
MAR-TRE-f6f5f473-43
0.336
MAR-TRE-3e4e6814-60
0.336
MAR-TRE-f6f5f473-50
0.336
MAR-TRE-04c86cea-89
0.336
MAR-TRE-f6f5f473-26
0.333
MAR-TRE-4b834d9a-84
0.330
MAR-TRE-04c86cea-25
0.327
MAR-TRE-04c86cea-11
0.327
MAR-TRE-3e4e6814-33
0.324
MAR-TRE-3e4e6814-69
0.323
MAR-TRE-9c797165-36
0.320
MAR-TRE-7f7bb9f0-34
0.319
MAR-TRE-67513f76-62
0.312
MAR-TRE-3e4e6814-25
0.312
MAR-TRE-04c86cea-72
0.312
MAR-TRE-67513f76-91
0.312
MAR-TRE-74c6519b-73
0.311
MAR-TRE-3159af1a-73
0.311
MAR-TRE-7f7bb9f0-39
0.310
MAR-TRE-3e4e6814-19
0.310
MAR-TRE-04c86cea-63
0.309
MAR-TRE-04c86cea-36
0.309
MAR-TRE-14ce9fd6-1
0.306
MAR-TRE-9c797165-89
0.305
MAR-TRE-9c797165-15
0.304
MAR-TRE-04c86cea-56
0.304
MAR-TRE-74c6519b-5
0.304
MAR-TRE-d0525fbf-100
0.304
MAR-TRE-74c6519b-39
0.303
MAR-TRE-04c86cea-80
0.303
MAR-TRE-f6f5f473-66
0.302
MAR-TRE-b77b7921-11
0.302
MAR-TRE-7f7bb9f0-85
0.301
MAR-TRE-7f7bb9f0-17
0.301
MAR-TRE-9c797165-18
0.300
MAR-TRE-74c6519b-92
0.300
ALE-HEI-f28a35b5-8
0.300
MAR-TRE-3e4e6814-26
0.299
MAR-TRE-9c797165-74
0.299
MAR-TRE-74c6519b-25
0.299
MAR-TRE-67513f76-2
0.298