Molecular Properties | |
SMILES: | O=C(NC1(c2ccccc2)CCNC1)c1cncnc1 |
MW: | 268.13 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 66.91 |
cLogP: | 1.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-33
0.597
MAR-TRE-9d18ae8c-27
0.444
MAR-TRE-9d18ae8c-42
0.429
MAR-TRE-799db12b-54
0.425
MAR-TRE-8190bb11-20
0.425
MAR-TRE-66ac689e-5
0.419
MAR-TRE-9d18ae8c-39
0.415
MAR-TRE-92684b97-19
0.411
MAR-TRE-9d18ae8c-61
0.409
MAR-TRE-92684b97-95
0.408
MAR-TRE-e82e6c98-83
0.394
MAR-TRE-c317dd82-68
0.394
MAR-TRE-66ac689e-83
0.392
MAR-TRE-92684b97-38
0.389
MAR-TRE-9d18ae8c-96
0.385
MAR-TRE-9d18ae8c-68
0.382
MAR-TRE-be9ff7d2-66
0.378
MAR-TRE-9d18ae8c-72
0.377
MAR-TRE-66ac689e-7
0.377
MAR-TRE-66ac689e-90
0.377
MAR-TRE-92684b97-4
0.375
MAR-TRE-be9ff7d2-76
0.370
MAR-TRE-66ac689e-55
0.368
MAR-TRE-92684b97-31
0.368
MAR-TRE-9d18ae8c-32
0.367
MAR-TRE-e82e6c98-41
0.362
MAR-TRE-e82e6c98-66
0.360
MAR-TRE-a9136c7b-27
0.358
MAR-TRE-9d18ae8c-76
0.357
MAR-TRE-9d18ae8c-95
0.357
MAR-TRE-92684b97-27
0.352
MAR-TRE-92684b97-50
0.352
MAR-TRE-92684b97-76
0.351
MAR-TRE-9d18ae8c-33
0.351
MAR-TRE-92684b97-14
0.351
MAR-TRE-9d18ae8c-13
0.350
MAR-TRE-8190bb11-62
0.347
MAR-TRE-9d18ae8c-71
0.347
MAR-TRE-be9ff7d2-79
0.346
MAR-TRE-c317dd82-62
0.346
MAR-TRE-8190bb11-91
0.343
MAR-TRE-4f781e27-49
0.343
MAR-TRE-92684b97-51
0.342
MAR-TRE-8190bb11-41
0.342
MAR-TRE-a9136c7b-97
0.342
MAR-TRE-66ac689e-34
0.342
MAR-TRE-66ac689e-61
0.342
MAR-TRE-e82e6c98-30
0.338
MAR-TRE-8190bb11-40
0.333
MAR-TRE-92684b97-52
0.333
MAR-TRE-66ac689e-43
0.333
MAR-TRE-8190bb11-79
0.329
MAR-TRE-4f781e27-35
0.329
MAR-TRE-4f781e27-4
0.329
MAR-TRE-4f781e27-28
0.329
MAR-TRE-9d18ae8c-28
0.329
MAR-TRE-8190bb11-48
0.329
MAR-TRE-c317dd82-53
0.329
MAR-TRE-66ac689e-70
0.329
MAR-TRE-92684b97-17
0.329
MAR-TRE-92684b97-35
0.329
MAR-TRE-be9ff7d2-2
0.325
MAR-TRE-92684b97-73
0.325
MAR-TRE-8190bb11-56
0.325
MAR-TRE-a9136c7b-66
0.324
MAR-TRE-8190bb11-11
0.324
MAR-TRE-9d18ae8c-31
0.324
MAR-TRE-e82e6c98-55
0.324
MAR-TRE-c317dd82-98
0.324
MAR-TRE-799db12b-95
0.324
MAR-TRE-c317dd82-93
0.321
MAR-TRE-9d18ae8c-8
0.321
MAR-TRE-a9136c7b-47
0.317
MAR-TRE-be9ff7d2-44
0.316
MAR-TRE-4f781e27-86
0.316
MAR-TRE-9d18ae8c-67
0.316
MAR-TRE-92684b97-66
0.315
MAR-TRE-8190bb11-71
0.315
MAR-TRE-8190bb11-6
0.312
MAR-TRE-66ac689e-93
0.312
MAR-TRE-e82e6c98-1
0.312
MAR-TRE-4f781e27-32
0.311
MAR-TRE-8190bb11-28
0.311
MAR-TRE-8190bb11-59
0.311
MAR-TRE-e82e6c98-94
0.310
MAR-TRE-be9ff7d2-74
0.310
MAR-TRE-8190bb11-14
0.309
MAR-TRE-8190bb11-26
0.309
MAR-TRE-8190bb11-46
0.309
MAR-TRE-92684b97-28
0.309
MAR-TRE-c317dd82-99
0.308
MAR-TRE-9d18ae8c-64
0.307
MAR-TRE-8190bb11-96
0.307
MAR-TRE-9d18ae8c-73
0.307
MAR-TRE-9d18ae8c-78
0.307
MAR-TRE-4f781e27-78
0.306
MAR-TRE-4f781e27-63
0.304
MAR-TRE-9d18ae8c-99
0.304
MAR-TRE-66ac689e-41
0.303
MAR-TRE-92684b97-9
0.303