Molecular Properties | |
SMILES: | Cc1nc2ccccc2n(CCCNC(=O)c2cncnc2)c1=O |
MW: | 323.14 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 89.77 |
cLogP: | 1.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Filter82_pyridinium
MAR-TRE-8190bb11-96
0.487
MAR-TRE-e82e6c98-26
0.456
MAR-TRE-c317dd82-92
0.417
MAR-TRE-4b834d9a-96
0.411
MAR-TRE-8190bb11-33
0.407
MAR-TRE-4f781e27-7
0.398
MAR-TRE-e82e6c98-29
0.395
MAR-TRE-66ac689e-59
0.376
MAR-TRE-8190bb11-30
0.367
MAR-TRE-66ac689e-91
0.366
MAR-TRE-e82e6c98-64
0.363
MAR-TRE-799db12b-68
0.359
MAR-TRE-e82e6c98-75
0.356
MAR-TRE-66ac689e-35
0.356
MAR-TRE-4f781e27-83
0.355
MAR-TRE-be9ff7d2-41
0.349
MAR-TRE-4f781e27-58
0.344
MAR-TRE-e82e6c98-47
0.341
MAR-TRE-e82e6c98-60
0.341
MAR-TRE-e82e6c98-50
0.333
MAR-TRE-92684b97-37
0.333
MAR-TRE-be9ff7d2-32
0.330
MAR-TRE-4f781e27-19
0.330
MAR-TRE-c317dd82-22
0.327
MAR-TRE-66ac689e-47
0.326
MAR-TRE-e82e6c98-22
0.326
MAR-TRE-8190bb11-16
0.324
MAR-TRE-8190bb11-64
0.323
MAR-TRE-be9ff7d2-5
0.320
MAR-TRE-a9136c7b-45
0.320
MAR-TRE-8190bb11-8
0.320
MAR-TRE-be9ff7d2-92
0.319
MAR-TRE-8190bb11-46
0.319
MAR-TRE-be9ff7d2-40
0.319
MAR-TRE-92684b97-54
0.319
MAR-TRE-e82e6c98-76
0.318
MAR-TRE-4f781e27-49
0.318
MAR-TRE-e82e6c98-10
0.316
MAR-TRE-66ac689e-53
0.313
MAR-TRE-c317dd82-26
0.312
MAR-TRE-be9ff7d2-37
0.312
MAR-TRE-be9ff7d2-51
0.312
MAR-TRE-92684b97-65
0.312
MAR-TRE-c317dd82-70
0.312
MAR-TRE-8190bb11-95
0.312
MAR-TRE-be9ff7d2-13
0.311
MAR-TRE-4f781e27-85
0.310
MAR-TRE-92684b97-21
0.310
MAR-TRE-8190bb11-63
0.309
MAR-TRE-a9136c7b-54
0.308
MAR-TRE-be9ff7d2-11
0.307
MAR-TRE-4f781e27-81
0.305
MAR-TRE-799db12b-20
0.304
MAR-TRE-8190bb11-82
0.304
MAR-TRE-a3327163-28
0.303
MAR-TRE-a9136c7b-79
0.303
MAR-TRE-e82e6c98-37
0.303
MAR-TRE-e82e6c98-85
0.303
MAR-TRE-799db12b-64
0.303
MAR-TRE-8190bb11-35
0.303
MAR-TRE-8190bb11-24
0.302
MAR-TRE-8190bb11-43
0.302
MAR-TRE-4f781e27-96
0.301
MAR-TRE-66ac689e-73
0.301
MAR-TRE-c317dd82-16
0.299
MAR-TRE-8190bb11-21
0.299
MAR-TRE-8190bb11-80
0.299
MAR-TRE-e82e6c98-68
0.299
MAR-TRE-a9136c7b-24
0.298
MAR-TRE-c317dd82-51
0.297
MAR-TRE-799db12b-84
0.297
MAR-TRE-92684b97-11
0.297
MAR-TRE-92684b97-38
0.297
MAR-TRE-92684b97-76
0.297
MAR-TRE-be9ff7d2-99
0.296
MAR-TRE-4f781e27-23
0.296
MAR-TRE-66ac689e-1
0.296
MAR-TRE-92684b97-98
0.296
MAR-TRE-be9ff7d2-90
0.295
MAR-TRE-8190bb11-13
0.295
MAR-TRE-a3327163-51
0.295
MAR-TRE-8190bb11-73
0.295
MAR-TRE-9d18ae8c-39
0.294
MAR-TRE-be9ff7d2-19
0.293
MAR-TRE-be9ff7d2-98
0.293
MAR-TRE-e82e6c98-11
0.293
MAR-TRE-66ac689e-39
0.293
MAR-TRE-4f781e27-28
0.293
MAR-TRE-66ac689e-12
0.293
MAR-TRE-9d18ae8c-48
0.293
MAR-TRE-92684b97-24
0.293
MAR-TRE-e82e6c98-51
0.293
MAR-TRE-8190bb11-31
0.293
MAR-TRE-4f781e27-82
0.293
MAR-TRE-66ac689e-29
0.292
MAR-TRE-e82e6c98-5
0.292
MAR-TRE-92684b97-96
0.292
MAR-TRE-8190bb11-27
0.291
MAK-UNK-f2409524-7
0.291
MAR-TRE-9d18ae8c-61
0.291