Molecular Properties | |
SMILES: | COC(=O)c1c(CNC(=O)c2cncnc2)nn2c1CCCC2 |
MW: | 315.13 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 99.0 |
cLogP: | 0.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-e82e6c98-93
0.644
MAR-TRE-799db12b-11
0.453
MAR-TRE-9d18ae8c-84
0.417
MAR-TRE-66ac689e-78
0.412
MAR-TRE-4f781e27-65
0.407
MAR-TRE-9d18ae8c-55
0.382
MAR-TRE-66ac689e-21
0.364
MAR-TRE-66ac689e-69
0.351
MAR-TRE-9d18ae8c-65
0.351
MAR-TRE-a9136c7b-5
0.351
MAR-TRE-92684b97-74
0.349
MAR-TRE-e82e6c98-16
0.349
MAR-TRE-e82e6c98-14
0.348
MAR-TRE-8190bb11-85
0.346
MAR-TRE-8190bb11-24
0.346
MAR-TRE-4f781e27-99
0.345
MAR-TRE-66ac689e-26
0.345
MAR-TRE-e82e6c98-5
0.344
MAR-TRE-66ac689e-29
0.344
MAR-TRE-c317dd82-81
0.344
MAR-TRE-e82e6c98-95
0.344
MAR-TRE-e82e6c98-68
0.341
MAR-TRE-92684b97-78
0.338
MAR-TRE-8190bb11-13
0.337
MAR-TRE-e82e6c98-47
0.337
MAR-TRE-799db12b-84
0.337
MAR-TRE-e82e6c98-91
0.337
MAR-TRE-e82e6c98-60
0.337
MAR-TRE-9d18ae8c-13
0.337
MAR-TRE-e82e6c98-97
0.337
MAR-TRE-66ac689e-47
0.337
MAR-TRE-be9ff7d2-11
0.333
MAR-TRE-be9ff7d2-49
0.333
MAR-TRE-8190bb11-42
0.333
MAR-TRE-8190bb11-88
0.333
MAR-TRE-799db12b-69
0.330
MAR-TRE-be9ff7d2-92
0.330
MAR-TRE-4f781e27-88
0.330
MAR-TRE-92684b97-96
0.330
MAR-TRE-799db12b-7
0.330
MAR-TRE-e82e6c98-64
0.330
MAR-TRE-799db12b-52
0.330
MAR-TRE-e82e6c98-12
0.330
MAR-TRE-8190bb11-82
0.330
MAR-TRE-92684b97-54
0.330
MAR-TRE-799db12b-35
0.329
MAR-TRE-9d18ae8c-89
0.329
MAR-TRE-e82e6c98-76
0.329
MAR-TRE-be9ff7d2-67
0.329
MAR-TRE-8190bb11-99
0.327
MAR-TRE-799db12b-14
0.326
MAR-TRE-a9136c7b-100
0.326
MAR-TRE-be9ff7d2-82
0.326
MAR-TRE-4f781e27-38
0.326
MAR-TRE-be9ff7d2-18
0.326
MAR-TRE-be9ff7d2-1
0.326
MAR-TRE-c317dd82-11
0.323
MAR-TRE-a9136c7b-69
0.323
MAR-TRE-799db12b-72
0.323
MAR-TRE-c317dd82-6
0.322
MAR-TRE-a9136c7b-24
0.322
MAR-TRE-66ac689e-20
0.322
MAR-TRE-799db12b-44
0.322
MAR-TRE-799db12b-70
0.322
MAR-TRE-92684b97-14
0.322
MAR-TRE-c317dd82-55
0.322
MAR-TRE-e82e6c98-22
0.322
MAR-TRE-92684b97-11
0.322
MAR-TRE-be9ff7d2-90
0.321
MAR-TRE-e82e6c98-77
0.321
MAR-TRE-be9ff7d2-33
0.320
MAR-TRE-8190bb11-9
0.320
MAR-TRE-be9ff7d2-99
0.319
MAR-TRE-a9136c7b-17
0.319
MAR-TRE-be9ff7d2-14
0.319
MAR-TRE-92684b97-82
0.319
MAR-TRE-799db12b-27
0.319
MAR-TRE-8190bb11-86
0.319
MAR-TRE-e82e6c98-8
0.319
MAR-TRE-799db12b-89
0.319
MAR-TRE-66ac689e-12
0.318
MAR-TRE-92684b97-83
0.318
MAR-TRE-a9136c7b-54
0.318
MAR-TRE-4f781e27-22
0.318
MAR-TRE-e82e6c98-26
0.318
MAR-TRE-e82e6c98-57
0.318
MAR-TRE-be9ff7d2-95
0.316
MAR-TRE-be9ff7d2-81
0.315
MAR-TRE-66ac689e-98
0.315
MAR-TRE-a9136c7b-6
0.314
MAR-TRE-e82e6c98-25
0.313
MAR-TRE-a9136c7b-31
0.313
MAR-TRE-c317dd82-83
0.312
MAR-TRE-799db12b-65
0.312
MAR-TRE-8190bb11-61
0.312
MAR-TRE-9d18ae8c-34
0.312
MAR-TRE-799db12b-59
0.312
MAR-TRE-799db12b-33
0.312
MAR-TRE-8190bb11-34
0.312
MAR-TRE-4f781e27-75
0.312