Molecular Properties | |
SMILES: | O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1cncnc1 |
MW: | 331.16 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 104.29 |
cLogP: | 0.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
hydantoin
MAR-TRE-8190bb11-33
0.931
MAR-TRE-e82e6c98-26
0.514
MAR-TRE-8190bb11-96
0.507
MAR-TRE-c317dd82-92
0.447
MAR-TRE-e82e6c98-47
0.438
MAR-TRE-be9ff7d2-41
0.427
MAR-TRE-a9136c7b-23
0.398
MAR-TRE-e82e6c98-22
0.397
MAR-TRE-be9ff7d2-32
0.383
MAR-TRE-8190bb11-2
0.374
MAR-TRE-e82e6c98-29
0.370
MAR-TRE-e82e6c98-50
0.370
MAR-TRE-b77b7921-63
0.369
MAR-TRE-66ac689e-59
0.367
MAR-TRE-c317dd82-70
0.361
MAR-TRE-e82e6c98-60
0.361
MAR-TRE-66ac689e-47
0.360
MAR-TRE-be9ff7d2-19
0.358
MAR-TRE-8190bb11-30
0.357
MAR-TRE-92684b97-37
0.353
MAR-TRE-4f781e27-65
0.353
MAR-TRE-8190bb11-46
0.353
MAR-TRE-4f781e27-58
0.349
MAR-TRE-4f781e27-76
0.349
MAR-TRE-e82e6c98-36
0.349
MAR-TRE-799db12b-68
0.349
MAR-TRE-e82e6c98-85
0.348
MAR-TRE-799db12b-65
0.348
MAR-TRE-4b834d9a-90
0.347
MAR-TRE-b77b7921-91
0.345
MAR-TRE-66ac689e-35
0.345
MAR-TRE-8190bb11-39
0.345
MAR-TRE-9d18ae8c-66
0.344
MAR-TRE-799db12b-21
0.343
MAR-TRE-66ac689e-91
0.341
MAR-TRE-be9ff7d2-77
0.341
MAR-TRE-8190bb11-64
0.341
MAR-TRE-8190bb11-85
0.338
MAR-TRE-c317dd82-8
0.338
MAR-TRE-be9ff7d2-70
0.337
MAR-TRE-be9ff7d2-92
0.337
MAR-TRE-e82e6c98-5
0.337
MAR-TRE-e82e6c98-64
0.337
MAR-TRE-e82e6c98-35
0.333
MAR-TRE-c317dd82-75
0.330
MAR-TRE-e82e6c98-49
0.330
MAR-TRE-c317dd82-26
0.330
MAR-TRE-9d18ae8c-13
0.330
MAR-TRE-74c6519b-53
0.329
MAR-TRE-9d18ae8c-84
0.329
MAR-TRE-66ac689e-20
0.329
MAR-TRE-be9ff7d2-42
0.329
MAR-TRE-92684b97-95
0.329
MAR-TRE-4f781e27-85
0.329
MAR-TRE-92684b97-52
0.329
MAR-TRE-c317dd82-68
0.329
MAR-TRE-e82e6c98-82
0.326
MAR-TRE-e82e6c98-93
0.326
MAR-TRE-66ac689e-21
0.326
MAR-TRE-799db12b-29
0.325
MAR-TRE-be9ff7d2-11
0.325
MAR-TRE-c317dd82-60
0.322
MAR-TRE-c317dd82-81
0.322
MAR-TRE-66ac689e-29
0.322
MAR-TRE-be9ff7d2-54
0.322
MAR-TRE-66ac689e-26
0.321
MAR-TRE-be9ff7d2-40
0.321
MAR-TRE-e82e6c98-12
0.321
MAR-TRE-9d18ae8c-89
0.321
MAR-TRE-e82e6c98-76
0.321
MAR-TRE-8190bb11-24
0.321
MAR-TRE-e82e6c98-41
0.321
MAR-TRE-be9ff7d2-67
0.320
MAR-TRE-c317dd82-20
0.320
MAR-TRE-e82e6c98-84
0.319
MAR-TRE-799db12b-14
0.319
MAR-TRE-799db12b-64
0.319
MAR-TRE-e82e6c98-37
0.319
MAR-TRE-e82e6c98-92
0.319
MAR-TRE-be9ff7d2-18
0.318
MAR-TRE-be9ff7d2-94
0.316
MAR-TRE-c317dd82-22
0.316
MAR-TRE-799db12b-72
0.315
MAR-TRE-8190bb11-95
0.314
MAR-TRE-4f781e27-92
0.314
MAR-TRE-be9ff7d2-89
0.314
MAR-TRE-c317dd82-55
0.313
MAR-TRE-e82e6c98-48
0.313
MAR-TRE-e82e6c98-75
0.313
MAR-TRE-92684b97-38
0.313
MAR-TRE-e82e6c98-54
0.312
MAR-TRE-8190bb11-13
0.312
MAR-TRE-c317dd82-51
0.312
MAR-TRE-92684b97-78
0.312
MAR-TRE-4f781e27-23
0.311
MAR-TRE-c317dd82-69
0.311
MAR-TRE-66ac689e-1
0.311
MAR-TRE-be9ff7d2-14
0.310
MAR-TRE-799db12b-89
0.310
MAR-TRE-4f781e27-77
0.310