Molecular Properties | |
SMILES: | O=C(NCCC1(O)C(=O)Nc2ccccc21)c1cncnc1 |
MW: | 298.11 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 104.21 |
cLogP: | 0.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-37
0.425
MAR-TRE-8190bb11-96
0.413
MAR-TRE-799db12b-68
0.386
MAR-TRE-e82e6c98-26
0.382
MAR-TRE-be9ff7d2-41
0.377
MAR-TRE-8190bb11-30
0.361
MAR-TRE-9d18ae8c-68
0.361
MAR-TRE-4f781e27-49
0.360
MAR-TRE-8190bb11-46
0.357
MAR-TRE-a9136c7b-23
0.356
MAR-TRE-8190bb11-33
0.354
MAR-TRE-92684b97-78
0.351
MAR-TRE-4f781e27-85
0.351
MAR-TRE-9d18ae8c-42
0.350
MAR-TRE-8190bb11-95
0.349
MAR-TRE-c317dd82-92
0.346
MAR-TRE-799db12b-16
0.345
MAR-TRE-4f781e27-7
0.345
MAR-TRE-66ac689e-1
0.345
MAR-TRE-66ac689e-91
0.345
MAR-TRE-8190bb11-24
0.342
MAR-TRE-8190bb11-85
0.342
MAR-TRE-e82e6c98-76
0.342
MAR-TRE-66ac689e-26
0.341
MAR-TRE-8190bb11-82
0.341
MAR-TRE-66ac689e-90
0.341
MAR-TRE-66ac689e-29
0.341
MAR-TRE-66ac689e-59
0.338
MAR-TRE-4f781e27-19
0.338
MAR-TRE-66ac689e-73
0.337
MAR-TRE-4f781e27-96
0.337
MAR-TRE-92684b97-44
0.337
MAR-TRE-799db12b-44
0.333
MAR-TRE-8190bb11-13
0.333
MAR-TRE-92684b97-11
0.333
MAR-TRE-66ac689e-55
0.333
MAR-TRE-e82e6c98-22
0.333
MAR-TRE-e82e6c98-47
0.333
MAR-TRE-e82e6c98-75
0.333
MAR-TRE-4f781e27-92
0.333
MAR-TRE-9d18ae8c-32
0.333
MAR-TRE-8190bb11-64
0.330
MAR-TRE-92684b97-82
0.329
MAR-TRE-be9ff7d2-17
0.329
MAR-TRE-be9ff7d2-19
0.329
MAR-TRE-4f781e27-28
0.329
MAR-TRE-66ac689e-34
0.326
MAR-TRE-4f781e27-81
0.326
MAR-TRE-92684b97-96
0.326
MAR-TRE-4f781e27-16
0.325
MAR-TRE-be9ff7d2-40
0.325
MAR-TRE-799db12b-20
0.325
MAR-TRE-9d18ae8c-74
0.325
MAR-TRE-e82e6c98-29
0.325
MAR-TRE-e82e6c98-50
0.325
MAR-TRE-8190bb11-81
0.325
MAR-TRE-4f781e27-54
0.325
MAR-TRE-92684b97-54
0.325
MAR-TRE-799db12b-35
0.325
MAR-TRE-9d18ae8c-89
0.325
MAR-TRE-4f781e27-99
0.325
MAR-TRE-be9ff7d2-67
0.324
MAR-TRE-be9ff7d2-73
0.322
MAR-TRE-92684b97-67
0.322
MAR-TRE-9d18ae8c-46
0.322
MAR-TRE-66ac689e-37
0.321
MAR-TRE-4f781e27-58
0.321
MAR-TRE-be9ff7d2-32
0.321
MAR-TRE-4f781e27-100
0.321
MAR-TRE-c317dd82-22
0.319
MAR-TRE-66ac689e-53
0.319
MAR-TRE-66ac689e-47
0.318
MAR-TRE-9d18ae8c-52
0.318
MAR-TRE-8190bb11-39
0.318
MAR-TRE-92684b97-14
0.318
MAR-TRE-9d18ae8c-27
0.318
MAR-TRE-9d18ae8c-53
0.318
MAR-TRE-c317dd82-70
0.318
MAR-TRE-e82e6c98-60
0.318
MAR-TRE-66ac689e-20
0.318
MAR-TRE-799db12b-84
0.317
MAR-TRE-c317dd82-55
0.317
MAR-TRE-e82e6c98-54
0.316
MAR-TRE-9d18ae8c-39
0.316
MAR-TRE-4f781e27-23
0.315
MAR-TRE-799db12b-27
0.314
MAR-TRE-66ac689e-21
0.314
MAR-TRE-9d18ae8c-6
0.314
MAR-TRE-92684b97-53
0.314
MAR-TRE-799db12b-89
0.314
MAR-TRE-66ac689e-30
0.313
MAR-TRE-92684b97-86
0.313
MAR-TRE-9d18ae8c-48
0.313
MAR-TRE-66ac689e-12
0.313
MAR-TRE-be9ff7d2-11
0.312
MAR-TRE-92684b97-74
0.312
MAR-TRE-66ac689e-70
0.312
MAR-TRE-9d18ae8c-61
0.312
MAR-TRE-799db12b-69
0.311
MAR-TRE-4f781e27-82
0.311