Molecular Properties | |
SMILES: | O=C(NCC1CCC(CN2C(=O)NC3(CCOC3)C2=O)CC1)c1cncnc1 |
MW: | 387.19 |
Fraction sp3: | 0.63 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 113.52 |
cLogP: | 0.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAR-TRE-c317dd82-40
0.430
MAR-TRE-c317dd82-4
0.404
MAR-TRE-c317dd82-6
0.393
MAR-TRE-799db12b-21
0.385
MAR-TRE-8190bb11-33
0.382
MAR-TRE-4f781e27-76
0.382
MAR-TRE-e82e6c98-36
0.380
MAR-TRE-e82e6c98-48
0.379
MAR-TRE-8190bb11-39
0.376
MAR-TRE-4f781e27-7
0.374
MAR-TRE-be9ff7d2-14
0.359
MAR-TRE-be9ff7d2-95
0.354
MAR-TRE-e82e6c98-40
0.351
MAR-TRE-e82e6c98-55
0.341
MAR-TRE-c317dd82-47
0.340
MAR-TRE-e82e6c98-35
0.337
MAR-TRE-c317dd82-86
0.337
MAR-TRE-be9ff7d2-60
0.337
MAR-TRE-c317dd82-32
0.333
MAR-TRE-92684b97-52
0.333
MAR-TRE-c317dd82-33
0.333
MAR-TRE-be9ff7d2-33
0.330
MAR-TRE-e82e6c98-82
0.330
MAR-TRE-be9ff7d2-54
0.326
MAR-TRE-799db12b-7
0.326
MAR-TRE-e82e6c98-2
0.326
MAR-TRE-c317dd82-8
0.326
MAR-TRE-be9ff7d2-41
0.326
MAR-TRE-a9136c7b-6
0.324
MAR-TRE-e82e6c98-84
0.324
MAR-TRE-799db12b-64
0.323
MAR-TRE-e82e6c98-10
0.323
MAR-TRE-e82e6c98-56
0.323
MAR-TRE-c317dd82-11
0.320
MAR-TRE-e82e6c98-49
0.320
MAR-TRE-a9136c7b-7
0.320
MAR-TRE-be9ff7d2-76
0.319
MAR-TRE-c317dd82-49
0.317
MAR-TRE-e82e6c98-1
0.315
MAR-TRE-4f781e27-22
0.315
MAR-TRE-c317dd82-67
0.314
MAR-TRE-be9ff7d2-91
0.313
MAR-TRE-c317dd82-5
0.313
MAR-TRE-c317dd82-12
0.313
MAR-TRE-c317dd82-60
0.313
MAR-TRE-be9ff7d2-81
0.312
MAR-TRE-c317dd82-81
0.312
MAR-TRE-8190bb11-46
0.312
MAR-TRE-c317dd82-37
0.312
MAR-TRE-be9ff7d2-70
0.312
MAR-TRE-e82e6c98-85
0.310
MAR-TRE-4f781e27-75
0.309
MAR-TRE-c317dd82-34
0.309
MAR-TRE-92684b97-19
0.309
MAR-TRE-e82e6c98-83
0.308
MAR-TRE-4f781e27-33
0.308
MAR-TRE-66ac689e-47
0.306
MAR-TRE-c317dd82-25
0.306
MAR-TRE-e82e6c98-6
0.306
MAR-TRE-e82e6c98-22
0.304
MAR-TRE-e82e6c98-3
0.304
MAR-TRE-be9ff7d2-52
0.304
MAR-TRE-4f781e27-41
0.303
MAR-TRE-be9ff7d2-77
0.303
MAR-TRE-be9ff7d2-99
0.303
MAR-TRE-a9136c7b-17
0.303
MAR-TRE-66ac689e-5
0.302
MAR-TRE-e82e6c98-61
0.302
MAR-TRE-799db12b-89
0.302
MAR-TRE-c317dd82-31
0.302
MAR-TRE-92684b97-83
0.301
MAR-TRE-c317dd82-92
0.301
MAR-TRE-799db12b-18
0.301
MAR-TRE-799db12b-57
0.300
MAR-TRE-be9ff7d2-2
0.300
MAR-TRE-c317dd82-20
0.299
MAR-TRE-4f781e27-88
0.299
MAR-TRE-be9ff7d2-74
0.299
MAR-TRE-e82e6c98-4
0.298
MAR-TRE-799db12b-4
0.298
MAR-TRE-66ac689e-26
0.298
MAR-TRE-92684b97-54
0.298
MAR-TRE-799db12b-65
0.297
MAR-TRE-c317dd82-50
0.297
MAR-TRE-e82e6c98-37
0.297
MAR-TRE-e82e6c98-62
0.297
MAR-TRE-66ac689e-54
0.297
MAR-TRE-799db12b-59
0.296
MAR-TRE-be9ff7d2-100
0.295
MAR-TRE-be9ff7d2-32
0.295
MAR-TRE-66ac689e-2
0.295
MAR-TRE-e82e6c98-34
0.295
MAR-TRE-4f781e27-53
0.294
MAR-TRE-a9136c7b-85
0.294
MAR-TRE-be9ff7d2-51
0.293
MAR-TRE-9d18ae8c-55
0.293
MAR-TRE-9d18ae8c-76
0.292
MAR-TRE-66ac689e-20
0.292
MAR-TRE-c317dd82-70
0.292
MAR-TRE-92684b97-14
0.292