Molecular Properties | |
SMILES: | O=C(NCc1cc(O)ccc1Cl)c1cncnc1 |
MW: | 263.05 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 75.11 |
cLogP: | 1.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-57
0.540
MAR-TRE-be9ff7d2-67
0.475
MAR-TRE-8190bb11-42
0.470
MAR-TRE-66ac689e-12
0.443
MAR-TRE-92684b97-78
0.438
MAR-TRE-8190bb11-83
0.434
MAR-TRE-e82e6c98-91
0.425
MAR-TRE-4f781e27-83
0.421
MAR-TRE-92684b97-53
0.419
MAR-TRE-8190bb11-81
0.417
MAR-TRE-92684b97-54
0.417
MAR-TRE-8190bb11-82
0.417
MAR-TRE-e82e6c98-12
0.417
MAR-TRE-799db12b-7
0.413
MAR-TRE-e82e6c98-35
0.411
MAR-TRE-c317dd82-55
0.408
MAR-TRE-66ac689e-74
0.408
MAR-TRE-799db12b-64
0.405
MAR-TRE-8190bb11-85
0.403
MAR-TRE-8190bb11-24
0.403
MAR-TRE-66ac689e-47
0.403
MAR-TRE-799db12b-89
0.400
MAR-TRE-8190bb11-88
0.400
MAR-TRE-799db12b-16
0.400
MAR-TRE-66ac689e-26
0.397
MAR-TRE-e82e6c98-5
0.395
MAR-TRE-66ac689e-29
0.395
MAR-TRE-4f781e27-100
0.392
MAR-TRE-be9ff7d2-18
0.392
MAR-TRE-66ac689e-37
0.392
MAR-TRE-66ac689e-73
0.392
MAR-TRE-8190bb11-13
0.391
MAR-TRE-c317dd82-67
0.390
MAR-TRE-4f781e27-75
0.390
MAR-TRE-92684b97-64
0.390
MAR-TRE-799db12b-48
0.390
MAR-TRE-799db12b-59
0.390
MAR-TRE-a9136c7b-100
0.390
MAR-TRE-92684b97-88
0.389
MAR-TRE-92684b97-11
0.389
MAR-TRE-92684b97-81
0.387
MAR-TRE-9d18ae8c-53
0.387
MAR-TRE-be9ff7d2-89
0.387
MAR-TRE-799db12b-44
0.387
MAR-TRE-92684b97-47
0.387
MAR-TRE-e82e6c98-60
0.387
MAR-TRE-be9ff7d2-11
0.386
MAR-TRE-8190bb11-80
0.385
MAR-TRE-9d18ae8c-36
0.385
MAR-TRE-9d18ae8c-52
0.385
MAR-TRE-a9136c7b-80
0.385
MAR-TRE-4f781e27-28
0.384
MAR-TRE-a9136c7b-81
0.384
MAR-TRE-be9ff7d2-17
0.384
MAR-TRE-9d18ae8c-49
0.383
MAR-TRE-4f781e27-49
0.382
MAR-TRE-9d18ae8c-6
0.382
MAR-TRE-799db12b-27
0.382
MAR-TRE-66ac689e-21
0.382
MAR-TRE-9d18ae8c-89
0.380
MAR-TRE-4f781e27-99
0.380
MAR-TRE-8190bb11-32
0.380
MAR-TRE-4f781e27-84
0.380
MAR-TRE-e82e6c98-23
0.380
MAR-TRE-799db12b-35
0.380
MAR-TRE-9d18ae8c-74
0.378
MAR-TRE-a9136c7b-28
0.378
MAR-TRE-e82e6c98-68
0.377
MAR-TRE-e82e6c98-95
0.377
MAR-TRE-799db12b-52
0.377
MAR-TRE-8190bb11-50
0.375
MAR-TRE-8190bb11-53
0.375
MAR-TRE-be9ff7d2-1
0.375
MAR-TRE-9d18ae8c-18
0.372
MAR-TRE-9d18ae8c-46
0.372
MAR-TRE-9d18ae8c-54
0.372
MAR-TRE-799db12b-33
0.372
MAR-TRE-799db12b-2
0.372
MAR-TRE-799db12b-3
0.372
MAR-TRE-799db12b-24
0.372
MAR-TRE-92684b97-6
0.370
MAR-TRE-799db12b-65
0.370
MAR-TRE-92684b97-72
0.370
MAR-TRE-8190bb11-27
0.369
MAR-TRE-4f781e27-92
0.368
MAR-TRE-66ac689e-20
0.368
MAR-TRE-4f781e27-2
0.367
MAR-TRE-4f781e27-48
0.367
MAR-TRE-9d18ae8c-30
0.367
MAR-TRE-8190bb11-62
0.366
MAR-TRE-92684b97-74
0.366
MAR-TRE-9d18ae8c-10
0.366
MAR-TRE-8190bb11-84
0.365
MAR-TRE-799db12b-10
0.365
MAR-TRE-a9136c7b-54
0.365
MAR-TRE-66ac689e-16
0.365
MAR-TRE-66ac689e-28
0.365
MAR-TRE-92684b97-82
0.364
MAR-TRE-8190bb11-86
0.364
MAR-TRE-8190bb11-73
0.364