Molecular Properties | |
SMILES: | COc1cc(CCCCNC(=O)c2cncnc2)cc(OC)c1O |
MW: | 331.15 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 93.57 |
cLogP: | 1.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
MAR-TRE-8190bb11-95
0.480
MAR-TRE-e82e6c98-76
0.458
MAR-TRE-4f781e27-16
0.453
MAR-TRE-be9ff7d2-5
0.440
MAR-TRE-be9ff7d2-40
0.434
MAR-TRE-66ac689e-59
0.413
MAR-TRE-e82e6c98-26
0.405
MAR-TRE-8190bb11-96
0.400
MAR-TRE-e82e6c98-29
0.397
MAR-TRE-8190bb11-68
0.386
MAR-TRE-c317dd82-92
0.385
MAR-TRE-e82e6c98-14
0.383
MAR-TRE-be9ff7d2-41
0.382
MAR-TRE-a9136c7b-92
0.377
MAR-TRE-be9ff7d2-73
0.372
MAR-TRE-e82e6c98-75
0.372
MAR-TRE-799db12b-84
0.372
MAR-TRE-be9ff7d2-49
0.368
MAR-TRE-e82e6c98-50
0.362
MAR-TRE-8190bb11-49
0.362
MAR-TRE-4f781e27-81
0.361
MAR-TRE-8190bb11-18
0.360
MAR-TRE-8190bb11-33
0.358
MAR-TRE-66ac689e-87
0.357
MAR-TRE-e82e6c98-47
0.355
MAR-TRE-4f781e27-85
0.355
MAR-TRE-8190bb11-78
0.354
MAR-TRE-c317dd82-26
0.353
MAR-TRE-4f781e27-83
0.353
MAR-TRE-4f781e27-7
0.349
MAR-TRE-92684b97-82
0.349
MAR-TRE-4f781e27-35
0.349
MAR-TRE-be9ff7d2-67
0.347
MAR-TRE-9d18ae8c-89
0.346
MAR-TRE-92684b97-54
0.346
MAR-TRE-66ac689e-98
0.346
MAR-TRE-92684b97-96
0.345
MAR-TRE-a9136c7b-23
0.344
MAR-TRE-e82e6c98-77
0.338
MAR-TRE-92684b97-14
0.337
MAR-TRE-e82e6c98-97
0.337
MAR-TRE-be9ff7d2-19
0.333
MAR-TRE-66ac689e-12
0.333
MAR-TRE-8190bb11-76
0.333
MAR-TRE-4f781e27-22
0.333
MAR-TRE-e82e6c98-16
0.333
MAR-TRE-e82e6c98-57
0.333
MAR-TRE-4f781e27-82
0.330
MAR-TRE-e82e6c98-51
0.330
MAR-TRE-e82e6c98-64
0.329
MAR-TRE-799db12b-87
0.329
MAR-TRE-799db12b-32
0.329
MAR-TRE-8190bb11-85
0.329
MAR-TRE-8190bb11-24
0.329
MAR-TRE-4f781e27-49
0.329
MAR-TRE-799db12b-33
0.326
MAR-TRE-92684b97-67
0.326
MAR-TRE-8190bb11-58
0.325
MAR-TRE-be9ff7d2-32
0.325
MAR-TRE-e82e6c98-58
0.325
MAR-TRE-799db12b-5
0.325
MAR-TRE-be9ff7d2-3
0.325
MAR-TRE-be9ff7d2-37
0.322
MAR-TRE-a9136c7b-69
0.322
MAR-TRE-a9136c7b-78
0.322
MAR-TRE-9d18ae8c-13
0.322
MAR-TRE-c317dd82-70
0.321
MAR-TRE-a9136c7b-49
0.321
MAR-TRE-66ac689e-20
0.321
MAR-TRE-66ac689e-35
0.321
MAR-TRE-be9ff7d2-64
0.321
MAR-TRE-799db12b-44
0.321
MAR-TRE-e82e6c98-22
0.321
MAR-TRE-92684b97-11
0.321
MAR-TRE-799db12b-47
0.321
MAR-TRE-8190bb11-13
0.321
MAR-TRE-be9ff7d2-90
0.321
MAR-TRE-e82e6c98-54
0.321
MAR-TRE-92684b97-78
0.320
MAR-TRE-66ac689e-1
0.318
MAR-TRE-66ac689e-99
0.318
MAR-TRE-be9ff7d2-39
0.318
MAR-TRE-be9ff7d2-17
0.317
MAR-TRE-8190bb11-69
0.317
MAR-TRE-be9ff7d2-11
0.316
MAR-TRE-66ac689e-57
0.316
MAR-TRE-be9ff7d2-95
0.315
MAR-TRE-66ac689e-34
0.314
MAR-TRE-4f781e27-88
0.314
MAR-TRE-799db12b-52
0.314
MAR-TRE-92684b97-37
0.314
MAR-TRE-8190bb11-77
0.313
MAR-TRE-799db12b-79
0.313
MAR-TRE-a9136c7b-98
0.313
MAR-TRE-66ac689e-26
0.313
MAR-TRE-4f781e27-99
0.312
MAR-TRE-799db12b-35
0.312
MAR-TRE-c317dd82-20
0.312
MAR-TRE-e82e6c98-84
0.312
MAR-TRE-e82e6c98-41
0.312