Molecular Properties | |
SMILES: | O=C(NCc1ccc2c(c1)CNC2=O)c1cncnc1 |
MW: | 268.1 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 83.98 |
cLogP: | 0.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-92
0.548
MAR-TRE-4f781e27-88
0.494
MAR-TRE-92684b97-11
0.473
MAR-TRE-a9136c7b-14
0.472
MAR-TRE-66ac689e-20
0.449
MAR-TRE-be9ff7d2-17
0.447
MAR-TRE-66ac689e-12
0.447
MAR-TRE-92684b97-78
0.443
MAR-TRE-a9136c7b-31
0.442
MAR-TRE-66ac689e-26
0.442
MAR-TRE-66ac689e-1
0.439
MAR-TRE-a9136c7b-4
0.433
MAR-TRE-799db12b-33
0.432
MAR-TRE-9d18ae8c-46
0.432
MAR-TRE-8190bb11-34
0.432
MAR-TRE-8190bb11-24
0.431
MAR-TRE-8190bb11-85
0.431
MAR-TRE-92684b97-81
0.430
MAR-TRE-9d18ae8c-34
0.429
MAR-TRE-799db12b-72
0.427
MAR-TRE-92684b97-82
0.425
MAR-TRE-9d18ae8c-65
0.424
MAR-TRE-8190bb11-13
0.419
MAR-TRE-9d18ae8c-16
0.419
MAR-TRE-66ac689e-37
0.418
MAR-TRE-66ac689e-73
0.418
MAR-TRE-799db12b-69
0.417
MAR-TRE-799db12b-2
0.415
MAR-TRE-799db12b-24
0.415
MAR-TRE-799db12b-44
0.412
MAR-TRE-9d18ae8c-53
0.412
MAR-TRE-66ac689e-54
0.412
MAR-TRE-9d18ae8c-52
0.410
MAR-TRE-4f781e27-2
0.410
MAR-TRE-9d18ae8c-36
0.410
MAR-TRE-e82e6c98-25
0.409
MAR-TRE-4f781e27-99
0.408
MAR-TRE-9d18ae8c-89
0.408
MAR-TRE-799db12b-35
0.408
MAR-TRE-799db12b-16
0.407
MAR-TRE-799db12b-27
0.407
MAR-TRE-66ac689e-21
0.407
MAR-TRE-9d18ae8c-6
0.407
MAR-TRE-8190bb11-50
0.403
MAR-TRE-799db12b-51
0.400
MAR-TRE-e82e6c98-54
0.400
MAR-TRE-9d18ae8c-43
0.400
MAR-TRE-8190bb11-8
0.400
MAR-TRE-799db12b-18
0.398
MAR-TRE-9d18ae8c-54
0.398
MAR-TRE-799db12b-3
0.398
MAR-TRE-9d18ae8c-18
0.398
MAR-TRE-799db12b-84
0.397
MAR-TRE-799db12b-9
0.396
MAR-TRE-799db12b-14
0.395
MAR-TRE-799db12b-97
0.395
MAR-TRE-92684b97-6
0.395
MAR-TRE-66ac689e-33
0.393
MAR-TRE-8190bb11-80
0.393
MAR-TRE-9d18ae8c-30
0.393
MAR-TRE-9d18ae8c-7
0.388
MAR-TRE-799db12b-76
0.386
MAR-TRE-799db12b-52
0.386
MAR-TRE-8190bb11-31
0.384
MAR-TRE-9d18ae8c-11
0.384
MAR-TRE-e82e6c98-91
0.378
MAR-TRE-799db12b-4
0.378
MAR-TRE-8190bb11-42
0.377
MAR-TRE-9d18ae8c-10
0.375
MAR-TRE-9d18ae8c-49
0.375
MAR-TRE-be9ff7d2-67
0.375
MAR-TRE-e82e6c98-12
0.370
MAR-TRE-a9136c7b-11
0.370
MAR-TRE-4f781e27-100
0.366
MAR-TRE-be9ff7d2-90
0.364
MAR-TRE-92684b97-53
0.357
MAR-TRE-66ac689e-51
0.354
MAR-TRE-9d18ae8c-74
0.354
MAR-TRE-c317dd82-81
0.353
MAR-TRE-799db12b-7
0.353
MAR-TRE-92684b97-96
0.353
MAR-TRE-8190bb11-18
0.352
MAR-TRE-e82e6c98-35
0.349
MAR-TRE-4f781e27-75
0.349
MAR-TRE-8190bb11-99
0.348
MAR-TRE-4f781e27-85
0.346
MAR-TRE-c317dd82-55
0.346
MAR-TRE-4f781e27-43
0.346
MAR-TRE-e82e6c98-22
0.346
MAR-TRE-92684b97-14
0.345
MAR-TRE-66ac689e-47
0.345
MAR-TRE-4f781e27-83
0.345
MAR-TRE-e82e6c98-57
0.342
RAL-MED-2de63afb-5
0.341
MAR-TRE-4f781e27-49
0.338
MAR-TRE-e82e6c98-23
0.338
MAR-TRE-c317dd82-63
0.338
MAR-TRE-a9136c7b-28
0.337
MAR-TRE-8190bb11-81
0.337
MAR-TRE-92684b97-54
0.337