Molecular Properties | |
SMILES: | N#Cc1cn(CCNC(=O)c2cncnc2)c(=O)[nH]c1=O |
MW: | 286.08 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 133.53 |
cLogP: | -1.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
MAR-TRE-be9ff7d2-32
0.657
MAR-TRE-be9ff7d2-18
0.461
MAR-TRE-be9ff7d2-50
0.436
MAR-TRE-c317dd82-92
0.434
MAR-TRE-8190bb11-30
0.412
MAR-TRE-e82e6c98-47
0.405
MAR-TRE-e82e6c98-22
0.403
MAR-TRE-66ac689e-91
0.393
MAR-TRE-2fd8122f-68
0.386
MAR-TRE-c317dd82-55
0.385
MAR-TRE-e82e6c98-26
0.382
MAR-TRE-8190bb11-96
0.377
MAR-TRE-e82e6c98-76
0.377
MAR-TRE-e82e6c98-12
0.375
MAR-TRE-e82e6c98-35
0.370
MAR-TRE-8190bb11-33
0.370
MAR-TRE-4f781e27-7
0.361
MAR-TRE-be9ff7d2-41
0.359
MAR-TRE-e82e6c98-19
0.354
MAR-TRE-799db12b-68
0.353
MAR-TRE-be9ff7d2-31
0.346
MAR-TRE-8190bb11-64
0.344
MAR-TRE-be9ff7d2-40
0.341
MAR-TRE-4f781e27-16
0.341
MAR-TRE-92684b97-37
0.341
MAR-TRE-e82e6c98-48
0.333
MAR-TRE-4f781e27-85
0.333
MAR-TRE-be9ff7d2-19
0.329
MAR-TRE-e82e6c98-16
0.329
MAR-TRE-be9ff7d2-49
0.329
MAR-TRE-be9ff7d2-5
0.326
MAR-TRE-e82e6c98-5
0.326
MAR-TRE-799db12b-87
0.326
MAR-TRE-be9ff7d2-67
0.324
MAR-TRE-e82e6c98-92
0.322
MAR-TRE-66ac689e-74
0.322
MAR-TRE-4f781e27-58
0.321
MAR-TRE-66ac689e-59
0.321
MAR-TRE-e82e6c98-49
0.319
MAR-TRE-66ac689e-35
0.318
MAR-TRE-8190bb11-95
0.318
MAR-TRE-e82e6c98-75
0.317
MAR-TRE-8190bb11-13
0.316
MAR-TRE-92684b97-21
0.316
MAR-TRE-e82e6c98-77
0.316
MAR-TRE-92684b97-78
0.316
MAR-TRE-be9ff7d2-77
0.315
MAR-TRE-92684b97-74
0.312
MAR-TRE-8190bb11-44
0.312
MAR-TRE-a9136c7b-23
0.312
MAR-TRE-8190bb11-46
0.310
MAR-TRE-e82e6c98-64
0.310
MAR-TRE-e82e6c98-50
0.310
MAR-TRE-e82e6c98-29
0.310
MAR-TRE-66ac689e-26
0.310
MAR-TRE-be9ff7d2-73
0.308
MAR-TRE-e82e6c98-37
0.308
MAR-TRE-e82e6c98-85
0.308
MAR-TRE-c317dd82-86
0.306
MAR-TRE-be9ff7d2-93
0.306
MAR-TRE-c317dd82-22
0.305
MAR-TRE-c317dd82-26
0.303
MAR-TRE-66ac689e-47
0.303
MAR-TRE-8190bb11-39
0.303
MAR-TRE-be9ff7d2-37
0.303
MAR-TRE-a9136c7b-78
0.303
MAR-TRE-e82e6c98-60
0.302
MAR-TRE-be9ff7d2-13
0.301
MAR-TRE-799db12b-84
0.301
MAR-TRE-be9ff7d2-43
0.301
MAR-TRE-c317dd82-51
0.301
MAR-TRE-4f781e27-23
0.300
MAR-TRE-be9ff7d2-39
0.300
MAR-TRE-92684b97-52
0.300
MAR-TRE-e82e6c98-7
0.300
MAR-TRE-e82e6c98-82
0.300
MAR-TRE-be9ff7d2-96
0.299
MAR-TRE-c317dd82-54
0.298
MAR-TRE-4f781e27-28
0.298
MAR-TRE-92684b97-69
0.298
MAR-TRE-a9136c7b-54
0.298
MAR-TRE-8190bb11-15
0.298
MAR-TRE-4f781e27-22
0.298
MAR-TRE-be9ff7d2-95
0.297
MAR-TRE-e82e6c98-51
0.297
MAR-TRE-4f781e27-82
0.297
MAR-TRE-c317dd82-60
0.297
MAR-TRE-c317dd82-12
0.297
MAR-TRE-92684b97-60
0.296
MAR-TRE-be9ff7d2-11
0.296
MAR-TRE-4f781e27-65
0.295
MAR-TRE-c317dd82-81
0.295
MAR-TRE-be9ff7d2-81
0.295
MAR-TRE-66ac689e-67
0.295
MAR-TRE-4f781e27-81
0.295
MAR-TRE-c317dd82-37
0.295
MAR-TRE-be9ff7d2-92
0.295
MAR-TRE-be9ff7d2-70
0.294
MAR-TRE-a9136c7b-28
0.294
MAR-TRE-799db12b-20
0.294