Molecular Properties | |
SMILES: | O=C(NCCN1CCc2c(Cl)cccc2C1=O)c1cncnc1 |
MW: | 330.09 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 75.19 |
cLogP: | 1.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-22
0.444
MAR-TRE-8190bb11-96
0.420
MAR-TRE-8190bb11-30
0.419
MAR-TRE-e82e6c98-47
0.412
MAR-TRE-799db12b-68
0.378
MAR-TRE-66ac689e-47
0.374
MAR-TRE-e82e6c98-26
0.373
MAR-TRE-66ac689e-26
0.368
MAR-TRE-be9ff7d2-32
0.364
MAR-TRE-66ac689e-91
0.355
MAR-TRE-a9136c7b-28
0.352
MAR-TRE-e82e6c98-64
0.352
MAR-TRE-8190bb11-33
0.348
MAR-TRE-c317dd82-70
0.344
MAR-TRE-c317dd82-92
0.341
MAR-TRE-66ac689e-21
0.341
MAR-TRE-4f781e27-7
0.341
MAR-TRE-66ac689e-29
0.337
MAR-TRE-a9136c7b-76
0.337
MAR-TRE-e82e6c98-85
0.333
MAR-TRE-799db12b-48
0.333
MAR-TRE-799db12b-64
0.333
MAR-TRE-799db12b-14
0.333
MAR-TRE-8190bb11-43
0.333
MAR-TRE-be9ff7d2-46
0.333
MAR-TRE-c317dd82-22
0.330
MAR-TRE-66ac689e-53
0.330
MAR-TRE-9d18ae8c-65
0.330
MAR-TRE-66ac689e-35
0.330
MAR-TRE-e82e6c98-48
0.330
MAR-TRE-be9ff7d2-39
0.326
MAR-TRE-4f781e27-23
0.326
MAR-TRE-a9136c7b-23
0.323
MAR-TRE-799db12b-69
0.323
MAR-TRE-66ac689e-34
0.323
MAR-TRE-92684b97-37
0.323
MAR-TRE-e82e6c98-5
0.323
MAR-TRE-e82e6c98-50
0.322
MAR-TRE-799db12b-95
0.321
MAR-TRE-66ac689e-54
0.320
MAR-TRE-4f781e27-100
0.319
MAR-TRE-4f781e27-19
0.318
MAR-TRE-8190bb11-39
0.316
MAR-TRE-be9ff7d2-44
0.315
MAR-TRE-4f781e27-85
0.314
MAR-TRE-92684b97-52
0.314
MAR-TRE-be9ff7d2-90
0.314
MAR-TRE-a9136c7b-17
0.312
MAR-TRE-be9ff7d2-19
0.311
MAR-TRE-799db12b-9
0.311
MAR-TRE-e82e6c98-51
0.309
MAR-TRE-66ac689e-40
0.309
MAR-TRE-4f781e27-65
0.309
MAR-TRE-8190bb11-46
0.309
MAR-TRE-be9ff7d2-92
0.309
STE-KUL-2e0d2e88-3
0.308
MAR-TRE-e82e6c98-29
0.308
MAR-TRE-4f781e27-84
0.307
MAR-TRE-be9ff7d2-41
0.307
MAR-TRE-799db12b-21
0.306
MAR-TRE-92684b97-67
0.305
MAR-TRE-a9136c7b-4
0.305
MAR-TRE-a9136c7b-5
0.303
MAR-TRE-c317dd82-33
0.302
MAR-TRE-4f781e27-48
0.302
MAR-TRE-66ac689e-20
0.301
MAR-TRE-8190bb11-95
0.301
MAR-TRE-92684b97-14
0.301
MAR-TRE-c317dd82-6
0.301
MAR-TRE-e82e6c98-75
0.300
MAR-TRE-c317dd82-51
0.300
MAR-TRE-a9136c7b-14
0.299
MAR-TRE-799db12b-67
0.299
MAR-TRE-a9136c7b-95
0.299
MAR-TRE-799db12b-91
0.299
MAR-TRE-be9ff7d2-96
0.298
MAR-TRE-799db12b-89
0.298
MAR-TRE-66ac689e-9
0.298
MAR-TRE-e82e6c98-93
0.298
MAR-TRE-8190bb11-86
0.298
MAR-TRE-9d18ae8c-68
0.298
MAR-TRE-66ac689e-12
0.297
MAR-TRE-4f781e27-22
0.297
MAR-TRE-4f781e27-28
0.297
MAR-TRE-9d18ae8c-48
0.297
MAR-TRE-4f781e27-82
0.296
MAR-TRE-e82e6c98-57
0.295
MAR-TRE-92684b97-74
0.295
MAR-TRE-799db12b-52
0.295
MAR-TRE-66ac689e-67
0.295
MAR-TRE-8190bb11-82
0.293
MAR-TRE-9d18ae8c-58
0.293
MAR-TRE-e82e6c98-12
0.293
MAR-TRE-e82e6c98-37
0.293
MAR-TRE-e82e6c98-62
0.293
MAR-TRE-799db12b-98
0.293
MAR-TRE-be9ff7d2-73
0.293
MAR-TRE-e82e6c98-76
0.292
MAR-TRE-be9ff7d2-25
0.292
MAR-TRE-8190bb11-16
0.292