Molecular Properties | |
SMILES: | COC(=O)C1(NC(=O)c2cncnc2)Cc2ccccc2C1 |
MW: | 297.11 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 81.18 |
cLogP: | 0.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-92684b97-76
0.768
MAR-TRE-9d18ae8c-39
0.685
MAR-TRE-e82e6c98-41
0.550
MAR-TRE-9d18ae8c-61
0.533
MAR-TRE-9d18ae8c-33
0.456
MAR-TRE-92684b97-28
0.438
MAR-TRE-9d18ae8c-96
0.435
MAR-TRE-9d18ae8c-95
0.424
MAR-TRE-4f781e27-35
0.405
MAR-TRE-9d18ae8c-76
0.403
MAR-TRE-c317dd82-68
0.400
MAR-TRE-66ac689e-83
0.397
MAR-TRE-9d18ae8c-27
0.392
MAR-TRE-9d18ae8c-68
0.387
MAR-TRE-66ac689e-7
0.382
MAR-TRE-4f781e27-21
0.377
MAR-TRE-9d18ae8c-42
0.375
MAR-TRE-e82e6c98-55
0.366
MAR-TRE-92684b97-73
0.364
MAR-TRE-a9136c7b-27
0.362
MAR-TRE-4f781e27-33
0.361
MAR-TRE-4f781e27-86
0.356
MAR-TRE-66ac689e-55
0.355
MAR-TRE-92684b97-14
0.355
MAR-TRE-9d18ae8c-32
0.354
MAR-TRE-e82e6c98-1
0.351
MAR-TRE-92684b97-4
0.346
MAR-TRE-4f781e27-91
0.342
MAR-TRE-92684b97-77
0.342
MAR-TRE-4f781e27-79
0.342
MAR-TRE-4f781e27-40
0.338
MAR-TRE-e82e6c98-65
0.338
MAR-TRE-66ac689e-97
0.338
MAR-TRE-92684b97-43
0.338
MAR-TRE-8190bb11-19
0.338
MAR-TRE-9d18ae8c-13
0.338
MAR-TRE-92684b97-79
0.333
MAR-TRE-4f781e27-32
0.333
MAR-TRE-66ac689e-80
0.333
MAR-TRE-4f781e27-14
0.333
MAR-TRE-c317dd82-53
0.333
MAR-TRE-92684b97-29
0.333
MAR-TRE-9d18ae8c-71
0.333
MAR-TRE-66ac689e-70
0.333
MAR-TRE-66ac689e-79
0.333
MAR-TRE-66ac689e-93
0.333
MAR-TRE-799db12b-94
0.333
MAR-TRE-66ac689e-57
0.333
MAR-TRE-66ac689e-90
0.329
MAR-TRE-92684b97-54
0.329
MAR-TRE-be9ff7d2-66
0.329
MAR-TRE-66ac689e-98
0.329
MAR-TRE-9d18ae8c-78
0.329
MAR-TRE-8190bb11-11
0.329
MAR-TRE-9d18ae8c-17
0.325
MAR-TRE-92684b97-19
0.325
MAR-TRE-e82e6c98-56
0.325
MAR-TRE-9d18ae8c-99
0.325
MAR-TRE-e82e6c98-83
0.324
MAR-TRE-a9136c7b-92
0.324
MAR-TRE-66ac689e-18
0.324
MAR-TRE-be9ff7d2-28
0.321
MAR-TRE-4f781e27-37
0.321
MAR-TRE-799db12b-54
0.321
MAR-TRE-8190bb11-20
0.321
MAR-TRE-799db12b-47
0.320
MAR-TRE-92684b97-71
0.320
MAR-TRE-8190bb11-51
0.320
MAR-TRE-92684b97-95
0.320
MAR-TRE-66ac689e-95
0.320
MAR-TRE-be9ff7d2-76
0.320
MAR-TRE-92684b97-50
0.319
MAR-TRE-e82e6c98-7
0.319
MAR-TRE-c317dd82-48
0.319
MAR-TRE-92684b97-2
0.317
MAR-TRE-92684b97-68
0.317
MAR-TRE-92684b97-61
0.316
MAR-TRE-799db12b-31
0.316
MAR-TRE-4f781e27-4
0.316
MAR-TRE-4f781e27-80
0.316
MAR-TRE-66ac689e-5
0.316
MAR-TRE-799db12b-10
0.316
MAR-TRE-66ac689e-39
0.316
MAR-TRE-9d18ae8c-40
0.316
MAR-TRE-4f781e27-22
0.316
MAR-TRE-799db12b-46
0.316
MAR-TRE-8190bb11-62
0.315
MAR-TRE-be9ff7d2-49
0.315
MAR-TRE-66ac689e-23
0.315
MAR-TRE-66ac689e-86
0.315
MAR-TRE-92684b97-93
0.313
MAR-TRE-be9ff7d2-2
0.313
MAR-TRE-a9136c7b-97
0.312
MAR-TRE-92684b97-37
0.312
MAR-TRE-9d18ae8c-60
0.312
MAR-TRE-4f781e27-59
0.312
MAR-TRE-4f781e27-71
0.312
MAR-TRE-9d18ae8c-90
0.312
MAR-TRE-92684b97-96
0.312
MAR-TRE-799db12b-87
0.312