Molecular Properties | |
SMILES: | O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cncnc1 |
MW: | 285.1 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.56 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-40
0.407
MAR-TRE-4f781e27-85
0.403
MAR-TRE-92684b97-67
0.400
MAR-TRE-8190bb11-95
0.398
MAR-TRE-4f781e27-82
0.386
MAR-TRE-66ac689e-74
0.384
MAR-TRE-e82e6c98-76
0.375
MAR-TRE-e82e6c98-51
0.371
MAR-TRE-be9ff7d2-73
0.367
MAR-TRE-e82e6c98-75
0.366
MAR-TRE-be9ff7d2-39
0.360
MAR-TRE-e82e6c98-50
0.357
MAR-TRE-4f781e27-16
0.357
MAR-TRE-8190bb11-36
0.349
MAR-TRE-e82e6c98-91
0.349
MAR-TRE-92684b97-46
0.348
MAR-TRE-9d18ae8c-10
0.348
MAR-TRE-92684b97-91
0.345
MAR-TRE-9d18ae8c-7
0.344
MAR-TRE-c317dd82-63
0.341
MAR-TRE-4f781e27-81
0.341
MAR-TRE-e82e6c98-95
0.341
MAR-TRE-4f781e27-19
0.337
MAR-TRE-92684b97-75
0.337
MAR-TRE-799db12b-75
0.337
MAK-UNK-37f1d6fa-3
0.330
MAR-TRE-66ac689e-91
0.330
MAR-TRE-4f781e27-23
0.330
MAR-TRE-c317dd82-35
0.329
MAR-TRE-c317dd82-92
0.329
MAR-TRE-e82e6c98-26
0.329
MAR-TRE-8190bb11-42
0.329
MAR-TRE-be9ff7d2-5
0.326
MAR-TRE-66ac689e-68
0.326
MAR-TRE-e82e6c98-29
0.326
MAR-TRE-8190bb11-96
0.325
MAR-TRE-4f781e27-49
0.325
MAR-TRE-a9136c7b-51
0.322
MAR-TRE-4f781e27-58
0.322
MAR-TRE-be9ff7d2-1
0.321
MAR-TRE-66ac689e-59
0.321
MAR-TRE-be9ff7d2-90
0.317
MAR-TRE-e82e6c98-47
0.317
AAR-UNI-c25c2f1e-83
0.316
MAR-TRE-e82e6c98-18
0.315
MAR-TRE-92684b97-53
0.315
MAR-TRE-8190bb11-30
0.315
MAR-TRE-8190bb11-22
0.314
MAR-TRE-a9136c7b-33
0.314
MAR-TRE-c317dd82-76
0.314
MAR-TRE-a9136c7b-23
0.312
MAR-TRE-92684b97-37
0.311
MAR-TRE-a9136c7b-28
0.310
MAR-TRE-e82e6c98-23
0.310
MAR-TRE-92684b97-41
0.310
MAR-TRE-4f781e27-99
0.310
MAR-TRE-be9ff7d2-41
0.310
MAR-TRE-e82e6c98-85
0.309
AAR-UNI-c25c2f1e-52
0.309
MAR-TRE-be9ff7d2-67
0.308
MAR-TRE-799db12b-24
0.308
MAR-TRE-92684b97-18
0.308
MAR-TRE-4f781e27-96
0.307
MAR-TRE-be9ff7d2-32
0.307
MAR-TRE-be9ff7d2-61
0.307
MAR-TRE-66ac689e-37
0.307
MAR-TRE-8190bb11-33
0.307
MAR-TRE-c317dd82-56
0.305
MAR-TRE-66ac689e-62
0.305
MAR-TRE-c317dd82-26
0.304
MAR-TRE-8190bb11-39
0.304
MAR-TRE-e82e6c98-6
0.304
MAR-TRE-9d18ae8c-30
0.304
MAR-TRE-9d18ae8c-52
0.304
MAR-TRE-a9136c7b-12
0.304
MAR-TRE-c317dd82-24
0.303
MAR-TRE-c317dd82-70
0.303
MAR-TRE-be9ff7d2-28
0.303
MAR-TRE-66ac689e-35
0.303
MAR-TRE-8190bb11-40
0.303
MAR-TRE-92684b97-89
0.303
MAR-TRE-9d18ae8c-53
0.303
MAR-TRE-92684b97-49
0.303
MAR-TRE-e82e6c98-22
0.302
MAR-TRE-66ac689e-95
0.302
MAR-TRE-4f781e27-43
0.302
MAR-TRE-8190bb11-76
0.301
MAR-TRE-799db12b-16
0.300
MAR-TRE-799db12b-27
0.300
MAR-TRE-92684b97-78
0.300
MAR-TRE-4f781e27-7
0.300
MAK-UNK-37f1d6fa-7
0.299
MAR-TRE-799db12b-12
0.299
MAR-TRE-799db12b-66
0.299
MAR-TRE-be9ff7d2-19
0.299
MAR-TRE-9d18ae8c-48
0.299
MAR-TRE-8190bb11-69
0.299
MAR-TRE-4f781e27-28
0.299
MAR-TRE-799db12b-51
0.298
MAR-TRE-9d18ae8c-43
0.298