Molecular Properties | |
SMILES: | COc1cccc(C(CNC(=O)c2cncnc2)c2c[nH]c3ccccc23)c1OC |
MW: | 402.17 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 89.13 |
cLogP: | 3.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-91
0.609
MAR-TRE-66ac689e-52
0.453
MAR-TRE-8190bb11-25
0.451
MAR-TRE-be9ff7d2-7
0.410
MAR-TRE-4f781e27-96
0.409
RED-RED-10c9212c-54
0.406
MAR-TRE-4f781e27-69
0.390
MAR-TRE-4f781e27-6
0.373
MAR-TRE-e82e6c98-14
0.371
MAR-TRE-92684b97-96
0.367
MAR-TRE-8190bb11-18
0.366
MAR-TRE-66ac689e-98
0.354
MAR-TRE-a9136c7b-10
0.346
MAR-TRE-be9ff7d2-49
0.344
MAR-TRE-92684b97-91
0.343
MAR-TRE-799db12b-87
0.340
MAR-TRE-92684b97-75
0.337
MAR-TRE-9d18ae8c-99
0.337
MAR-TRE-9d18ae8c-17
0.337
MAR-TRE-be9ff7d2-73
0.337
MAR-TRE-a9136c7b-78
0.333
MAR-TRE-92684b97-47
0.333
MAR-TRE-8190bb11-68
0.333
MAR-TRE-4f781e27-83
0.333
MAR-TRE-92684b97-68
0.330
MAR-TRE-85681e92-69
0.327
MAR-TRE-799db12b-85
0.327
MAR-TRE-85681e92-53
0.327
MAR-TRE-e82e6c98-56
0.323
MAR-TRE-be9ff7d2-86
0.323
MAR-TRE-4f781e27-36
0.323
MAR-TRE-9d18ae8c-8
0.323
MAR-TRE-a9136c7b-22
0.321
MAR-TRE-a9136c7b-5
0.321
MAR-TRE-a9136c7b-32
0.321
MAR-TRE-92684b97-46
0.320
MAR-TRE-85681e92-68
0.320
MAR-TRE-92684b97-72
0.320
MAR-TRE-66ac689e-91
0.317
MAR-TRE-92684b97-53
0.317
MAR-TRE-9d18ae8c-94
0.314
MAR-TRE-8190bb11-85
0.312
MAR-TRE-799db12b-33
0.311
MAR-TRE-92684b97-67
0.311
MAR-TRE-92684b97-84
0.311
MAR-TRE-4f781e27-5
0.309
MAR-TRE-4f781e27-94
0.308
MAR-TRE-8190bb11-95
0.307
MAR-TRE-92684b97-14
0.307
MAR-TRE-799db12b-84
0.306
MAR-TRE-8190bb11-76
0.305
MAR-TRE-92684b97-82
0.304
MAR-TRE-4f781e27-26
0.303
MAR-TRE-92684b97-32
0.302
MAR-TRE-85681e92-33
0.301
MAR-TRE-c317dd82-38
0.300
MAR-TRE-799db12b-32
0.300
MAR-TRE-92684b97-54
0.300
MAR-TRE-e82e6c98-76
0.299
MAR-TRE-4f781e27-84
0.299
MAR-TRE-9d18ae8c-54
0.298
MAR-TRE-4f781e27-100
0.297
MAR-TRE-9d18ae8c-13
0.295
MAR-TRE-be9ff7d2-64
0.294
MAR-TRE-9d18ae8c-53
0.294
MAR-TRE-799db12b-44
0.294
MAR-TRE-8190bb11-98
0.293
MAR-TRE-4f781e27-40
0.293
MAR-TRE-4f781e27-23
0.292
MAR-TRE-799db12b-16
0.291
MAR-TRE-799db12b-12
0.291
ALP-POS-a3de0cb1-15
0.291
MAR-TRE-be9ff7d2-5
0.291
MAR-TRE-92684b97-78
0.290
MAR-TRE-4f781e27-28
0.290
MAR-TRE-4f781e27-27
0.290
MAR-TRE-be9ff7d2-95
0.290
MAR-TRE-8190bb11-46
0.288
MAR-TRE-92684b97-37
0.288
BUT-SEX-9e782cc8-1
0.287
MAR-TRE-4f781e27-16
0.287
MAR-TRE-9d18ae8c-74
0.287
MAR-TRE-be9ff7d2-10
0.287
MAR-TRE-4f781e27-9
0.287
MAR-TRE-92684b97-97
0.287
MAR-TRE-92684b97-6
0.287
MAR-TRE-799db12b-24
0.286
MAR-TRE-799db12b-48
0.286
MAR-TRE-8190bb11-96
0.286
MAR-TRE-92684b97-5
0.286
MAR-TRE-9d18ae8c-18
0.286
MAR-TRE-9d18ae8c-46
0.286
MAR-TRE-c317dd82-56
0.284
MAR-TRE-66ac689e-69
0.284
MAR-TRE-799db12b-5
0.284
MAR-TRE-8190bb11-58
0.284
MAR-TRE-4f781e27-58
0.284
MAR-TRE-66ac689e-37
0.284
MAR-TRE-66ac689e-73
0.284
MAR-TRE-92684b97-44
0.284