Molecular Properties | |
SMILES: | O=C(NCc1ccnc(N2CCCC(O)C2)c1)c1cncnc1 |
MW: | 313.15 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.24 |
cLogP: | 0.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-24
0.506
MAR-TRE-be9ff7d2-17
0.463
MAR-TRE-799db12b-52
0.453
MAR-TRE-8190bb11-34
0.432
MAR-TRE-a9136c7b-31
0.426
MAR-TRE-799db12b-2
0.416
MAR-TRE-9d18ae8c-34
0.413
MAR-TRE-9d18ae8c-36
0.411
MAR-TRE-799db12b-72
0.411
MAR-TRE-8190bb11-99
0.411
MAR-TRE-799db12b-89
0.409
MAR-TRE-8190bb11-86
0.409
MAR-TRE-9d18ae8c-6
0.409
MAR-TRE-66ac689e-26
0.407
MAR-TRE-c317dd82-80
0.404
MAR-TRE-9d18ae8c-16
0.404
MAR-TRE-799db12b-69
0.402
MAR-TRE-9d18ae8c-46
0.400
MAR-TRE-92684b97-11
0.400
MAR-TRE-799db12b-18
0.400
MAR-TRE-799db12b-9
0.398
AHN-SAT-02ef6d10-8
0.398
MAR-TRE-799db12b-14
0.398
MAR-TRE-4f781e27-92
0.398
MAR-TRE-9d18ae8c-65
0.394
MAR-TRE-9d18ae8c-11
0.387
MAR-TRE-8190bb11-8
0.387
MAR-TRE-799db12b-51
0.387
MAR-TRE-66ac689e-73
0.386
MAR-TRE-8190bb11-13
0.386
MAR-TRE-9d18ae8c-18
0.385
MAR-TRE-799db12b-3
0.385
MAR-TRE-66ac689e-54
0.383
MAR-TRE-92684b97-81
0.382
MAR-TRE-799db12b-4
0.381
MAR-TRE-66ac689e-33
0.380
MAR-TRE-66ac689e-12
0.379
MAR-TRE-8190bb11-24
0.378
MAR-TRE-8190bb11-85
0.378
MAR-TRE-92684b97-82
0.378
MAR-TRE-66ac689e-21
0.378
MAR-TRE-9d18ae8c-7
0.376
MAR-TRE-4f781e27-88
0.374
MAR-TRE-66ac689e-37
0.371
MAR-TRE-92684b97-78
0.370
MAR-TRE-799db12b-33
0.370
MAR-TRE-a9136c7b-14
0.369
MAR-TRE-799db12b-97
0.368
MAR-TRE-92684b97-6
0.368
MAR-TRE-8190bb11-27
0.367
MAR-TRE-9d18ae8c-53
0.367
MAR-TRE-66ac689e-20
0.367
MAR-TRE-799db12b-44
0.367
MAR-TRE-4f781e27-2
0.366
MAR-TRE-a9136c7b-6
0.365
MAR-TRE-9d18ae8c-49
0.365
MAR-TRE-a9136c7b-4
0.363
MAR-TRE-799db12b-16
0.363
MAR-TRE-799db12b-27
0.363
MAR-TRE-799db12b-76
0.361
MAR-TRE-9d18ae8c-89
0.360
MAR-TRE-a9136c7b-11
0.360
MAR-TRE-be9ff7d2-95
0.358
MAR-TRE-8190bb11-50
0.356
MAR-TRE-9d18ae8c-54
0.355
MAR-TRE-799db12b-24
0.355
MAR-TRE-799db12b-65
0.354
MAR-TRE-8190bb11-80
0.351
MAR-TRE-9d18ae8c-30
0.351
MAR-TRE-9d18ae8c-52
0.351
MAR-TRE-9d18ae8c-10
0.351
MAR-TRE-8190bb11-42
0.349
MAR-TRE-e82e6c98-93
0.348
MAR-TRE-66ac689e-1
0.347
MAR-TRE-4f781e27-99
0.345
MAR-TRE-799db12b-35
0.345
MAR-TRE-9d18ae8c-43
0.344
MAR-TRE-8190bb11-31
0.344
MAR-TRE-e82e6c98-35
0.341
MAR-TRE-4f781e27-100
0.341
MAR-TRE-be9ff7d2-90
0.337
MAR-TRE-e82e6c98-54
0.337
MAR-TRE-e82e6c98-22
0.337
MAR-TRE-4f781e27-48
0.337
MAR-TRE-e82e6c98-97
0.337
MAR-TRE-be9ff7d2-59
0.333
MAR-TRE-e82e6c98-8
0.333
MAR-TRE-66ac689e-29
0.330
MAR-TRE-c317dd82-81
0.330
MAR-TRE-e82e6c98-5
0.330
MAR-TRE-799db12b-7
0.330
MAR-TRE-4f781e27-65
0.330
MAR-TRE-be9ff7d2-67
0.329
MAR-TRE-66ac689e-47
0.323
MAR-TRE-c317dd82-6
0.323
MAR-TRE-e82e6c98-48
0.322
MAR-TRE-e82e6c98-47
0.322
RAL-MED-2de63afb-5
0.320
MAR-TRE-be9ff7d2-99
0.320
MAR-TRE-a9136c7b-17
0.320