Molecular Properties | |
SMILES: | O=C(CNC(=O)c1cccc(O)c1)NC(=O)c1cncnc1 |
MW: | 300.09 |
Fraction sp3: | 0.07 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 121.28 |
cLogP: | -0.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
Dipeptide
MAR-TRE-799db12b-39
0.479
MAR-TRE-92684b97-66
0.443
MAR-TRE-4f781e27-43
0.438
MAR-TRE-4f781e27-49
0.435
MAR-TRE-9d18ae8c-48
0.432
MAR-TRE-a9136c7b-28
0.427
MAR-TRE-92684b97-47
0.416
MAR-TRE-c317dd82-39
0.416
MAR-TRE-92684b97-89
0.416
MAR-TRE-4f781e27-19
0.405
MAR-TRE-c317dd82-63
0.392
MAR-TRE-8190bb11-83
0.390
MAR-TRE-66ac689e-41
0.387
MAR-TRE-e82e6c98-54
0.384
MAR-TRE-8190bb11-71
0.384
MAR-TRE-799db12b-48
0.383
MAR-TRE-8190bb11-52
0.378
MAR-TRE-799db12b-56
0.378
MAR-TRE-c317dd82-35
0.377
MAR-TRE-66ac689e-84
0.367
MAR-TRE-8190bb11-43
0.366
MAR-TRE-e82e6c98-77
0.365
MAR-TRE-be9ff7d2-90
0.365
MAR-TRE-799db12b-84
0.364
MAR-TRE-66ac689e-33
0.361
MAR-TRE-66ac689e-9
0.358
MAR-TRE-be9ff7d2-67
0.357
MAR-TRE-be9ff7d2-25
0.355
MAR-TRE-e82e6c98-19
0.351
MAR-TRE-a9136c7b-51
0.349
MAR-TRE-e82e6c98-7
0.347
MAR-TRE-be9ff7d2-44
0.346
MAR-TRE-e82e6c98-72
0.342
MAR-TRE-8190bb11-85
0.338
MAR-TRE-9d18ae8c-74
0.338
MAR-TRE-66ac689e-37
0.333
MAR-TRE-66ac689e-73
0.333
MAR-TRE-4f781e27-96
0.333
MAR-TRE-9d18ae8c-10
0.330
MAR-TRE-4f781e27-57
0.329
MAR-TRE-4f781e27-2
0.329
MAR-TRE-9d18ae8c-36
0.329
MAR-TRE-799db12b-44
0.329
MAR-TRE-9d18ae8c-53
0.329
MAR-TRE-92684b97-81
0.329
MAR-TRE-4f781e27-85
0.329
MAR-TRE-2fd8122f-66
0.326
MAR-TRE-9d18ae8c-6
0.325
MAR-TRE-c317dd82-19
0.325
MAR-TRE-799db12b-27
0.325
MAR-TRE-92684b97-91
0.325
MAR-TRE-8190bb11-42
0.325
MAR-TRE-799db12b-18
0.322
MAR-TRE-a9136c7b-76
0.322
MAR-TRE-799db12b-87
0.321
MAR-TRE-8190bb11-10
0.321
MAR-TRE-66ac689e-98
0.321
MAR-TRE-8190bb11-49
0.321
MAR-TRE-8190bb11-82
0.321
MAR-TRE-799db12b-24
0.318
MAR-TRE-799db12b-33
0.318
MAR-TRE-9d18ae8c-18
0.318
MAR-TRE-9d18ae8c-46
0.318
MAR-TRE-9d18ae8c-54
0.318
MAR-TRE-9d18ae8c-8
0.317
MAR-TRE-8190bb11-50
0.316
MAR-TRE-66ac689e-38
0.316
MAR-TRE-c317dd82-21
0.315
MAR-TRE-a9136c7b-78
0.314
MAR-TRE-8190bb11-40
0.313
MAR-TRE-92684b97-14
0.313
MAR-TRE-4f781e27-74
0.312
MAR-TRE-92684b97-38
0.312
MAR-TRE-8190bb11-36
0.312
MAR-TRE-8190bb11-13
0.312
MAR-TRE-799db12b-76
0.311
MAR-TRE-92684b97-78
0.311
MAR-TRE-66ac689e-1
0.310
MAR-TRE-9d18ae8c-23
0.310
RAL-MED-2de63afb-5
0.310
MAR-TRE-66ac689e-96
0.310
MAR-TRE-799db12b-16
0.310
MAR-TRE-8190bb11-87
0.310
MAR-TRE-9d18ae8c-80
0.310
MAR-TRE-4f781e27-80
0.310
MAR-TRE-92684b97-79
0.310
MAR-TRE-92684b97-82
0.310
MAR-TRE-be9ff7d2-17
0.309
MAR-TRE-c317dd82-92
0.309
MAR-TRE-be9ff7d2-19
0.309
MAR-TRE-a9136c7b-54
0.309
MAR-TRE-799db12b-10
0.309
MAR-TRE-8190bb11-28
0.308
MAR-TRE-4f781e27-12
0.308
GAB-REV-70cc3ca5-5
0.308
ALP-UNI-0676e700-8
0.308
MAR-TRE-e82e6c98-80
0.308
MAR-TRE-e82e6c98-57
0.308
MAR-TRE-be9ff7d2-47
0.307
MAR-TRE-e82e6c98-94
0.307