Molecular Properties | |
SMILES: | O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cncnc1 |
MW: | 359.11 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.43 |
cLogP: | 1.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SAD-SAT-135344c3-8
0.554
MAR-TRE-66ac689e-34
0.538
SAD-SAT-65574d3f-9
0.529
MAR-TRE-d0525fbf-84
0.435
UNK-UNK-2ede4078-93
0.427
MAT-POS-54c4bf04-3
0.409
MAT-POS-8fd29122-2
0.407
MAR-TRE-a9136c7b-28
0.398
SAD-SAT-5b1897b2-4
0.382
PET-UNK-82544c07-1
0.376
UNK-UNK-2ede4078-76
0.372
MAR-TRE-8190bb11-59
0.370
MAR-TRE-9d18ae8c-48
0.369
MAR-TRE-f5c2d31c-58
0.368
MAR-TRE-4f781e27-49
0.367
MAT-POS-450cb4f9-2
0.366
MAT-POS-3b536971-2
0.365
MAR-TRE-799db12b-69
0.363
MAT-POS-450cb4f9-1
0.362
MAR-TRE-4f781e27-43
0.357
ERI-UCB-a0b0dbcb-2
0.355
MAR-TRE-a9136c7b-5
0.355
MAR-TRE-9d18ae8c-65
0.355
MAR-TRE-8190bb11-42
0.354
MAR-TRE-66ac689e-92
0.352
MAR-TRE-c317dd82-63
0.349
MAR-TRE-66ac689e-98
0.349
LUI-IND-a1be81af-2
0.348
MAR-TRE-799db12b-17
0.347
MAR-TRE-4f781e27-19
0.345
MAR-TRE-799db12b-48
0.344
MIC-UNK-c5a20098-1
0.344
MAR-TRE-66ac689e-54
0.344
MAR-TRE-799db12b-14
0.344
MAT-POS-162a9720-2
0.341
MAR-TRE-e82e6c98-77
0.341
NIL-NON-a189c016-1
0.341
MAR-TRE-92684b97-89
0.341
MAR-TRE-be9ff7d2-89
0.341
MAR-TRE-92684b97-16
0.341
MAR-TRE-c317dd82-35
0.337
MAR-TRE-799db12b-16
0.337
MAR-TRE-8190bb11-64
0.337
MAR-TRE-be9ff7d2-95
0.333
MAR-TRE-4f781e27-84
0.333
MAR-TRE-799db12b-87
0.333
MAR-TRE-8190bb11-27
0.330
MAR-TRE-799db12b-39
0.330
MAR-TRE-4f781e27-96
0.330
MAR-TRE-799db12b-49
0.326
MAR-TRE-9d18ae8c-30
0.326
MAR-TRE-a9136c7b-78
0.326
MAR-TRE-e82e6c98-91
0.326
MAR-TRE-92684b97-14
0.326
MAR-TRE-e82e6c98-65
0.326
MAR-TRE-92684b97-88
0.326
MAR-TRE-92684b97-72
0.326
MAR-TRE-799db12b-84
0.326
MAR-TRE-be9ff7d2-90
0.325
MAR-TRE-e82e6c98-54
0.325
MAR-TRE-799db12b-89
0.322
MAR-TRE-8190bb11-73
0.322
MAR-TRE-92684b97-91
0.322
MAR-TRE-799db12b-27
0.322
MAR-TRE-66ac689e-21
0.322
MAR-TRE-8190bb11-88
0.322
MAR-TRE-9d18ae8c-6
0.322
MAR-TRE-be9ff7d2-98
0.322
MAR-TRE-66ac689e-12
0.322
MAR-TRE-66ac689e-28
0.322
MAR-TRE-e82e6c98-26
0.321
MAR-TRE-e82e6c98-57
0.321
MAR-TRE-66ac689e-45
0.319
MAR-TRE-a9136c7b-42
0.319
MAR-TRE-be9ff7d2-92
0.319
MAR-TRE-799db12b-52
0.319
MAR-TRE-66ac689e-29
0.319
MAR-TRE-8190bb11-46
0.319
MAR-TRE-92684b97-96
0.319
MAR-TRE-9d18ae8c-74
0.318
MAR-TRE-e82e6c98-12
0.318
MAR-TRE-66ac689e-26
0.318
MAR-TRE-8190bb11-96
0.318
MAR-TRE-4f781e27-99
0.318
MAR-TRE-799db12b-95
0.317
MAR-TRE-799db12b-65
0.316
MAR-TRE-799db12b-36
0.316
MAR-TRE-be9ff7d2-82
0.315
MAR-TRE-9d18ae8c-54
0.315
MAR-TRE-66ac689e-37
0.315
MAR-TRE-66ac689e-63
0.315
MAR-TRE-66ac689e-73
0.315
MAR-TRE-92684b97-77
0.314
MAR-TRE-e82e6c98-68
0.313
MAR-TRE-66ac689e-69
0.312
MAR-TRE-799db12b-45
0.312
MAR-TRE-9d18ae8c-49
0.312
MAR-TRE-9d18ae8c-36
0.312
MAR-TRE-8190bb11-80
0.312
MAR-TRE-a9136c7b-57
0.312