Molecular Properties | |
SMILES: | O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1cncnc1 |
MW: | 339.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 78.43 |
cLogP: | 0.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-43
0.541
MAR-TRE-a9136c7b-76
0.538
MAK-UNK-009ebe36-8
0.532
MAR-TRE-66ac689e-83
0.527
MAR-TRE-66ac689e-7
0.506
MAK-UNK-7c9d1431-24
0.500
DRR-IMP-38dce17f-3
0.500
SAD-SAT-1f400d17-1
0.426
MAR-TRE-4f781e27-49
0.425
MAR-TRE-8190bb11-21
0.405
MAR-TRE-799db12b-67
0.404
MAR-TRE-799db12b-52
0.398
MAR-TRE-799db12b-21
0.396
MAK-UNK-af83ef51-1
0.392
MAR-TRE-4f781e27-48
0.388
MAR-TRE-799db12b-89
0.386
ANT-OPE-c0c3e7cc-1
0.382
MAR-TRE-a9136c7b-89
0.381
DRR-IMP-38dce17f-4
0.378
STE-KUL-2e0d2e88-7
0.378
MAR-TRE-e82e6c98-54
0.377
MAR-TRE-66ac689e-20
0.373
MAR-TRE-92684b97-70
0.371
MAR-TRE-4f781e27-28
0.370
MAR-TRE-92684b97-51
0.367
GIA-UNK-5ec6c2b8-3
0.366
MAR-TRE-66ac689e-26
0.366
MAR-TRE-8190bb11-81
0.366
MAR-TRE-8190bb11-82
0.366
MAR-TRE-c317dd82-81
0.365
MAR-TRE-9d18ae8c-81
0.365
MAR-TRE-8190bb11-46
0.365
MED-COV-4280ac29-25
0.365
MAR-TRE-4f781e27-19
0.362
DRR-IMP-38dce17f-6
0.361
MAR-TRE-e82e6c98-47
0.359
MAR-TRE-4f781e27-43
0.358
MAR-TRE-799db12b-84
0.358
MAR-TRE-8190bb11-40
0.357
MAR-TRE-8190bb11-42
0.354
JOH-IMS-7e73aedd-4
0.354
MAR-TRE-66ac689e-21
0.353
MAR-TRE-9d18ae8c-6
0.353
MAR-TRE-4f781e27-84
0.350
MAR-TRE-8190bb11-96
0.350
MAR-TRE-a9136c7b-28
0.349
MAR-TRE-66ac689e-29
0.349
MED-COV-4280ac29-8
0.349
MAR-TRE-799db12b-69
0.348
MAR-TRE-4f781e27-96
0.345
MAR-TRE-9d18ae8c-50
0.345
MAR-TRE-799db12b-48
0.345
MAR-TRE-8190bb11-34
0.345
MAR-TRE-9d18ae8c-18
0.345
MAR-TRE-799db12b-65
0.344
MAR-TRE-799db12b-14
0.344
MAR-TRE-66ac689e-54
0.344
DRA-CSI-47e38074-1
0.343
MAR-TRE-92684b97-78
0.342
MAR-TRE-e82e6c98-77
0.342
MAR-TRE-4f781e27-21
0.342
MAR-TRE-92684b97-72
0.341
MAR-TRE-92684b97-88
0.341
MAR-TRE-799db12b-44
0.341
MAR-TRE-92684b97-47
0.341
MAR-TRE-9d18ae8c-52
0.341
MAR-TRE-9d18ae8c-30
0.341
MAR-TRE-9d18ae8c-65
0.341
MAR-TRE-f5c2d31c-58
0.340
AAR-POS-d2a4d1df-24
0.338
STE-KUL-2e0d2e88-1
0.338
MAR-TRE-8190bb11-48
0.338
MAR-TRE-9d18ae8c-48
0.337
MAR-TRE-8190bb11-7
0.337
MAR-TRE-799db12b-16
0.337
MAR-TRE-92684b97-91
0.337
BEN-DND-7e92b6ca-10
0.337
KRI-MAR-d2e3ef86-5
0.337
MAT-POS-b5746674-110
0.337
MAR-TRE-66ac689e-61
0.333
MED-COV-4280ac29-19
0.333
MAR-TRE-c317dd82-63
0.333
MAR-TRE-66ac689e-31
0.333
MAR-TRE-66ac689e-51
0.333
MAR-TRE-799db12b-17
0.333
MAR-TRE-9d18ae8c-89
0.333
GIA-UNK-595fac82-5
0.333
STE-KUL-2e0d2e88-3
0.333
MAR-TRE-799db12b-64
0.330
MAR-TRE-9d18ae8c-46
0.330
MAR-TRE-4f781e27-100
0.329
MAR-TRE-92684b97-44
0.329
MAR-TRE-92684b97-75
0.329
MAK-UNK-10dfa458-8
0.329
MAR-TRE-e82e6c98-68
0.329
MAK-UNK-7c9d1431-29
0.329
MAR-TRE-a9136c7b-5
0.326
MAR-TRE-66ac689e-53
0.326
MAR-TRE-c317dd82-74
0.326
MAR-TRE-66ac689e-47
0.326