Molecular Properties | |
SMILES: | O=C(NC1CC2(CCCC2)Oc2ccc(Cl)cc21)c1cncnc1 |
MW: | 343.11 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-38
0.352
MAR-TRE-9d18ae8c-90
0.352
MAR-TRE-e82e6c98-33
0.351
MAR-TRE-be9ff7d2-62
0.347
MAR-TRE-9d18ae8c-66
0.344
MAR-TRE-a9136c7b-66
0.337
MAR-TRE-e82e6c98-99
0.337
MAR-TRE-a9136c7b-48
0.333
MAR-TRE-4f781e27-79
0.333
MAR-TRE-92684b97-7
0.326
ALP-POS-64a6e87e-1
0.323
MAR-TRE-92684b97-20
0.322
MAR-TRE-9d18ae8c-78
0.322
MAR-TRE-c317dd82-14
0.319
MAT-POS-afb6844f-5
0.317
ALF-EVA-a24cc7ce-6
0.317
MAR-TRE-4f781e27-18
0.316
MAT-POS-afb6844f-4
0.311
MAR-TRE-92684b97-57
0.310
MAR-TRE-799db12b-71
0.309
MAR-TRE-799db12b-7
0.309
MAR-TRE-a9136c7b-91
0.308
MAR-TRE-a9136c7b-94
0.308
MAR-TRE-8190bb11-41
0.308
MAR-TRE-e82e6c98-21
0.307
MAR-TRE-c317dd82-8
0.307
MAR-TRE-66ac689e-63
0.304
EDG-MED-fe7487f8-15
0.303
MAR-TRE-9d18ae8c-13
0.302
JAG-UCB-c61058a9-29
0.300
DAR-DIA-0d514e7d-36
0.298
MAR-TRE-8190bb11-88
0.298
MAR-TRE-a9136c7b-63
0.297
MAT-POS-7ddaf7de-4
0.297
JAG-UCB-c61058a9-9
0.297
MAR-TRE-9d18ae8c-98
0.295
MAR-TRE-c317dd82-80
0.295
MAR-TRE-92684b97-28
0.295
MAR-TRE-a9136c7b-89
0.295
MAR-TRE-c317dd82-88
0.294
MAR-TRE-be9ff7d2-78
0.293
MAR-TRE-a9136c7b-2
0.293
RAL-THA-9041a04d-3
0.292
MAT-POS-2e8b2191-2
0.292
MAT-POS-2e8b2191-3
0.292
ADA-UCB-dc2b944c-16
0.292
IND-SYN-6c8299e8-6
0.292
MAR-TRE-e82e6c98-78
0.292
MAT-POS-afb6844f-2
0.291
MAR-TRE-c317dd82-77
0.290
MAR-TRE-e82e6c98-44
0.290
MAR-TRE-c317dd82-93
0.290
JAG-UCB-c61058a9-6
0.290
MIC-UNK-4c7b8ba7-2
0.290
MAR-TRE-4f781e27-53
0.290
MAR-TRE-92684b97-16
0.289
MAR-TRE-8190bb11-17
0.289
MAR-TRE-e82e6c98-53
0.289
MAR-TRE-9d18ae8c-95
0.287
MAR-TRE-a9136c7b-95
0.286
MAR-TRE-c317dd82-18
0.286
MAR-TRE-c317dd82-69
0.286
MAR-TRE-be9ff7d2-42
0.286
MAR-TRE-be9ff7d2-69
0.286
MAR-TRE-a9136c7b-36
0.286
MAR-TRE-92684b97-95
0.286
MAK-UNK-919546f0-6
0.286
NAU-LAT-b7d8c353-2
0.284
MAT-POS-afb6844f-1
0.284
MAR-TRE-c317dd82-4
0.284
MAR-TRE-a9136c7b-90
0.284
MAR-TRE-9d18ae8c-79
0.284
MAR-TRE-4f781e27-21
0.284
MAR-TRE-92684b97-32
0.283
MAR-TRE-a9136c7b-88
0.283
MAR-TRE-be9ff7d2-53
0.283
PET-UNK-158bee2a-7
0.283
MAR-TRE-92684b97-39
0.283
MAR-TRE-799db12b-29
0.283
MAR-TRE-c317dd82-68
0.282
JAN-GHE-f4ca5a00-21
0.282
MAR-TRE-a9136c7b-62
0.281
MAR-TRE-c317dd82-44
0.281
MAR-TRE-a9136c7b-97
0.281
MAR-TRE-8190bb11-42
0.281
MAR-TRE-8190bb11-59
0.281
MAT-POS-14f31916-5
0.280
MAR-TRE-a9136c7b-19
0.280
MAR-TRE-c317dd82-79
0.280
MAR-TRE-e82e6c98-86
0.280
RAL-THA-b74298ba-1
0.280
MAR-TRE-be9ff7d2-22
0.280
JAG-UCB-c61058a9-11
0.279
RAL-THA-3d7a794f-2
0.279
EDG-MED-fe7487f8-11
0.279
MIC-UNK-42806bd5-4
0.278
MAR-TRE-a9136c7b-74
0.278
MAR-TRE-799db12b-59
0.278
ALP-POS-bea7b391-1
0.278
MAR-TRE-799db12b-92
0.277