Molecular Properties | |
SMILES: | O=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1cncnc1 |
MW: | 342.15 |
Fraction sp3: | 0.1 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 70.67 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RED-RED-10c9212c-54
0.667
MAR-TRE-92684b97-10
0.609
MAR-TRE-8190bb11-25
0.519
MAR-TRE-66ac689e-52
0.482
MAR-TRE-4f781e27-96
0.469
MAR-TRE-be9ff7d2-7
0.418
MAR-TRE-4f781e27-6
0.391
MAR-TRE-4f781e27-69
0.380
MAR-TRE-92684b97-53
0.360
MAR-TRE-66ac689e-91
0.359
MAR-TRE-8190bb11-11
0.357
MAR-TRE-66ac689e-98
0.356
MAR-TRE-85681e92-53
0.355
MAR-TRE-92684b97-75
0.353
MAR-TRE-92684b97-72
0.349
MAR-TRE-92684b97-47
0.348
MAR-TRE-8190bb11-48
0.345
MAR-TRE-92684b97-91
0.344
MAR-TRE-8190bb11-6
0.344
MAR-TRE-4f781e27-49
0.341
MAR-TRE-4f781e27-84
0.341
MAR-TRE-9d18ae8c-74
0.341
MAR-TRE-799db12b-87
0.341
MAR-TRE-4f781e27-36
0.337
MAR-TRE-9d18ae8c-8
0.337
MAR-TRE-799db12b-48
0.337
MAR-TRE-92684b97-67
0.337
MAR-TRE-9d18ae8c-26
0.337
MAR-TRE-a9136c7b-78
0.333
MAR-TRE-4f781e27-94
0.333
MAR-TRE-85681e92-68
0.333
BUT-SEX-9e782cc8-1
0.333
MAR-TRE-92684b97-78
0.333
MAR-TRE-4f781e27-23
0.330
MAR-TRE-4f781e27-4
0.330
MAR-TRE-4f781e27-28
0.330
MAR-TRE-be9ff7d2-49
0.329
MAR-TRE-85681e92-69
0.327
MAR-TRE-8190bb11-26
0.326
MAR-TRE-92684b97-37
0.326
MAR-TRE-8190bb11-46
0.326
MAR-TRE-92684b97-96
0.326
MAR-TRE-8190bb11-56
0.326
MAR-TRE-8190bb11-85
0.325
MAR-TRE-be9ff7d2-73
0.323
MAR-TRE-9d18ae8c-18
0.323
MAR-TRE-4f781e27-100
0.322
MAR-TRE-e82e6c98-56
0.322
MAR-TRE-9d18ae8c-99
0.322
MAR-TRE-a9136c7b-5
0.320
MAR-TRE-8190bb11-90
0.319
MAR-TRE-4f781e27-83
0.319
MAR-TRE-9d18ae8c-52
0.319
MAR-TRE-8190bb11-98
0.318
MAR-TRE-92684b97-88
0.318
MAR-TRE-9d18ae8c-67
0.318
MAR-TRE-e82e6c98-14
0.315
MAR-TRE-9d18ae8c-80
0.315
MAR-TRE-8190bb11-18
0.312
MAR-TRE-8190bb11-14
0.312
MAR-TRE-66ac689e-34
0.312
MAR-TRE-9d18ae8c-94
0.312
MAR-TRE-85681e92-33
0.312
MAR-TRE-8190bb11-96
0.310
MAR-TRE-92684b97-6
0.309
MAR-TRE-92684b97-64
0.309
MAR-TRE-9d18ae8c-17
0.309
SUN-WAB-e274cdaf-1
0.308
MAR-TRE-c317dd82-56
0.306
MAR-TRE-8190bb11-93
0.305
MAR-TRE-92684b97-46
0.305
MAR-TRE-8190bb11-40
0.304
MAR-TRE-4f781e27-51
0.304
MAR-TRE-9d18ae8c-53
0.304
MAR-TRE-be9ff7d2-43
0.303
MAR-TRE-799db12b-76
0.303
MAR-TRE-be9ff7d2-90
0.302
MAR-TRE-e82e6c98-54
0.302
MAR-TRE-92684b97-27
0.302
MAR-TRE-8190bb11-76
0.302
MAR-TRE-e82e6c98-18
0.301
MAR-TRE-799db12b-16
0.301
MAR-TRE-4f781e27-77
0.301
MAR-TRE-9d18ae8c-6
0.301
MAR-TRE-e82e6c98-51
0.299
MAR-TRE-4f781e27-82
0.299
MAR-TRE-92684b97-32
0.299
MAR-TRE-8190bb11-42
0.299
MAR-TRE-8190bb11-28
0.299
MAR-TRE-66ac689e-61
0.298
MAR-TRE-9d18ae8c-81
0.298
SAN-PRS-3c4a6997-2
0.298
MAR-TRE-66ac689e-68
0.297
MAR-TRE-8190bb11-81
0.297
MAR-TRE-92684b97-54
0.297
MAR-TRE-92684b97-85
0.297
MAR-TRE-be9ff7d2-9
0.296
MAR-TRE-be9ff7d2-10
0.296
MAR-TRE-8190bb11-35
0.296
MAR-TRE-92684b97-97
0.296