Molecular Properties | |
SMILES: | O=C(NCC(O)c1cc(Cl)c2c(c1)OCCO2)c1cncnc1 |
MW: | 335.07 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 93.57 |
cLogP: | 1.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-49
0.480
MAR-TRE-66ac689e-98
0.415
MAR-TRE-c317dd82-100
0.386
MAR-TRE-e82e6c98-14
0.384
MAR-TRE-4f781e27-84
0.366
MAR-TRE-799db12b-88
0.356
MAR-TRE-66ac689e-12
0.353
MAR-TRE-a9136c7b-37
0.351
MAR-TRE-e82e6c98-56
0.345
MAR-TRE-4f781e27-75
0.344
MAR-TRE-be9ff7d2-90
0.341
MAR-TRE-92684b97-72
0.341
MAR-TRE-92684b97-88
0.341
MAR-TRE-92684b97-91
0.337
MAR-TRE-799db12b-87
0.333
MAR-TRE-66ac689e-54
0.330
MAR-TRE-a9136c7b-74
0.330
MAR-TRE-799db12b-48
0.330
MAR-TRE-a9136c7b-21
0.327
BAR-COM-0f94fc3d-28
0.326
MAR-TRE-a9136c7b-78
0.326
MAR-TRE-92684b97-47
0.326
MAR-TRE-e82e6c98-48
0.326
MAR-TRE-c317dd82-90
0.322
MAR-TRE-4f781e27-77
0.322
MAR-TRE-e82e6c98-57
0.321
MAR-TRE-66ac689e-26
0.318
MAR-TRE-9d18ae8c-54
0.315
MAR-TRE-e82e6c98-88
0.315
MAR-TRE-a9136c7b-55
0.315
MAR-TRE-799db12b-53
0.315
MAR-TRE-4f781e27-36
0.315
MAR-TRE-92684b97-75
0.314
MAR-TRE-a9136c7b-5
0.312
MAR-TRE-799db12b-58
0.312
MAR-TRE-be9ff7d2-4
0.312
MAR-TRE-a9136c7b-71
0.312
MAR-TRE-799db12b-15
0.311
MAR-TRE-e82e6c98-22
0.310
MAR-TRE-be9ff7d2-43
0.310
MAR-TRE-e82e6c98-47
0.310
MAR-TRE-be9ff7d2-48
0.310
MAR-TRE-8190bb11-13
0.310
MAR-TRE-92684b97-78
0.309
MAR-TRE-66ac689e-1
0.309
MAR-TRE-799db12b-27
0.308
MAR-TRE-8190bb11-88
0.308
MAR-TRE-a9136c7b-62
0.304
MAR-TRE-799db12b-7
0.304
MAR-TRE-4f781e27-88
0.304
MAR-TRE-a9136c7b-28
0.303
MAR-TRE-c317dd82-63
0.302
MAR-TRE-be9ff7d2-41
0.302
MAR-TRE-e82e6c98-76
0.302
MAR-TRE-92684b97-80
0.302
MAR-TRE-799db12b-35
0.302
MAR-TRE-4f781e27-99
0.302
MAR-TRE-799db12b-98
0.302
MAR-TRE-8190bb11-24
0.301
MAR-TRE-799db12b-95
0.301
MAR-TRE-4f781e27-49
0.301
MAR-TRE-8190bb11-85
0.301
MAR-TRE-e82e6c98-36
0.301
MAR-TRE-799db12b-24
0.301
MAR-TRE-92684b97-64
0.301
MAR-TRE-799db12b-33
0.301
BAR-COM-0f94fc3d-40
0.301
MAR-TRE-66ac689e-37
0.300
MAR-TRE-66ac689e-73
0.300
MAR-TRE-4f781e27-100
0.300
MAR-TRE-be9ff7d2-67
0.300
MAR-TRE-4f781e27-76
0.300
MAR-TRE-4f781e27-53
0.299
MAR-TRE-799db12b-96
0.299
MAR-TRE-799db12b-61
0.299
MAR-TRE-8190bb11-54
0.299
MAR-TRE-92684b97-46
0.298
MAR-TRE-8190bb11-68
0.298
MAR-TRE-8190bb11-39
0.298
MAR-TRE-9d18ae8c-59
0.298
MAR-TRE-a9136c7b-11
0.297
MAR-TRE-9d18ae8c-53
0.297
MAR-TRE-66ac689e-20
0.297
MAR-TRE-66ac689e-55
0.297
MAR-TRE-8190bb11-76
0.295
MAR-TRE-be9ff7d2-39
0.295
MAR-TRE-4f781e27-85
0.294
MAR-TRE-e82e6c98-93
0.293
MAR-TRE-66ac689e-21
0.293
MAR-TRE-8190bb11-30
0.293
MAR-TRE-92684b97-82
0.293
MAR-TRE-799db12b-16
0.293
MAR-TRE-799db12b-18
0.293
MAR-TRE-66ac689e-79
0.292
MAR-TRE-be9ff7d2-19
0.292
MAR-TRE-be9ff7d2-98
0.292
MAR-TRE-c317dd82-12
0.292
MAR-TRE-8190bb11-18
0.292
MAR-TRE-a9136c7b-76
0.292
MAR-TRE-66ac689e-49
0.291