Molecular Properties | |
SMILES: | CC(C)(NC(=O)c1cncnc1)C(=O)NCC1CCCCC1 |
MW: | 304.19 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.98 |
cLogP: | 1.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
MAR-TRE-c317dd82-82
0.486
SAN-PRS-52b81272-1
0.420
MAR-TRE-c317dd82-6
0.416
MAR-TRE-799db12b-66
0.377
MAR-TRE-4f781e27-64
0.364
MAR-TRE-92684b97-57
0.361
MAR-TRE-66ac689e-86
0.360
MAR-TRE-9d18ae8c-16
0.356
MAR-TRE-8190bb11-74
0.354
MAR-TRE-e82e6c98-2
0.354
MAR-TRE-be9ff7d2-95
0.353
MAR-TRE-e82e6c98-9
0.351
MAR-TRE-8190bb11-58
0.350
MAR-TRE-799db12b-70
0.346
MAR-TRE-799db12b-44
0.346
MAR-TRE-66ac689e-23
0.342
MAR-TRE-66ac689e-70
0.342
MAR-TRE-e82e6c98-11
0.342
MAR-TRE-4f781e27-22
0.342
MAR-TRE-92684b97-39
0.342
MAR-TRE-8190bb11-85
0.338
MAR-TRE-4f781e27-78
0.338
MAR-TRE-66ac689e-75
0.338
MAR-TRE-799db12b-41
0.338
MAR-TRE-92684b97-26
0.338
MAR-TRE-9d18ae8c-93
0.333
MAR-TRE-e82e6c98-15
0.333
MAR-TRE-c317dd82-46
0.333
MAR-TRE-9d18ae8c-34
0.333
MAR-TRE-be9ff7d2-65
0.333
MAR-TRE-799db12b-75
0.333
MAR-TRE-9d18ae8c-76
0.333
MAR-TRE-be9ff7d2-28
0.329
MAR-TRE-8190bb11-36
0.329
MAR-TRE-4f781e27-41
0.329
MAR-TRE-be9ff7d2-88
0.329
MAR-TRE-8190bb11-9
0.326
MAR-TRE-92684b97-62
0.325
MAR-TRE-e82e6c98-93
0.325
MAR-TRE-4f781e27-77
0.325
MAR-TRE-be9ff7d2-14
0.325
MAR-TRE-a9136c7b-81
0.325
MAR-TRE-66ac689e-14
0.325
MAR-TRE-8190bb11-62
0.325
MAR-TRE-4f781e27-32
0.325
MAR-TRE-e82e6c98-94
0.324
MAR-TRE-799db12b-18
0.322
MAR-TRE-799db12b-69
0.322
MAR-TRE-66ac689e-67
0.321
MAR-TRE-e82e6c98-39
0.321
MAR-TRE-e82e6c98-76
0.321
MAR-TRE-4f781e27-99
0.321
MAR-TRE-e82e6c98-41
0.320
MAR-TRE-799db12b-4
0.319
MAR-TRE-799db12b-98
0.318
MAR-TRE-e82e6c98-40
0.318
MAR-TRE-4f781e27-89
0.318
MAR-TRE-92684b97-36
0.318
MAR-TRE-e82e6c98-56
0.317
MAR-TRE-4f781e27-76
0.317
MAR-TRE-9d18ae8c-57
0.317
MAR-TRE-e82e6c98-34
0.317
MAR-TRE-be9ff7d2-51
0.314
MAR-TRE-799db12b-90
0.314
MAR-TRE-e82e6c98-48
0.312
MAR-TRE-c317dd82-55
0.312
MAR-TRE-be9ff7d2-72
0.312
MAR-TRE-e82e6c98-65
0.312
MAR-TRE-e82e6c98-81
0.312
MAR-TRE-4f781e27-74
0.312
MAR-TRE-e82e6c98-77
0.312
MAR-TRE-92684b97-52
0.312
MAR-TRE-a9136c7b-29
0.311
MAR-TRE-be9ff7d2-77
0.310
MAR-TRE-799db12b-62
0.310
MAR-TRE-9d18ae8c-56
0.310
MAR-TRE-9d18ae8c-75
0.310
MAR-TRE-66ac689e-21
0.310
MAR-TRE-e82e6c98-61
0.310
MAR-TRE-c317dd82-4
0.310
MAR-TRE-92684b97-82
0.310
MAR-TRE-c317dd82-76
0.309
MAR-TRE-be9ff7d2-19
0.309
MAR-TRE-8190bb11-22
0.309
MAR-TRE-92684b97-74
0.308
MAR-TRE-8190bb11-42
0.308
MAR-TRE-be9ff7d2-11
0.308
MAR-TRE-c317dd82-5
0.307
MAR-TRE-a9136c7b-45
0.307
MAR-TRE-be9ff7d2-74
0.307
MAR-TRE-c317dd82-88
0.307
MAR-TRE-be9ff7d2-81
0.306
MAR-TRE-66ac689e-29
0.306
MAR-TRE-4f781e27-65
0.306
MAR-TRE-c317dd82-20
0.305
MAR-TRE-be9ff7d2-70
0.305
MAR-TRE-be9ff7d2-68
0.305
MAR-TRE-92684b97-20
0.305
MAR-TRE-9d18ae8c-21
0.304
MAR-TRE-9d18ae8c-85
0.304