Molecular Properties | |
SMILES: | COCCN1CCOC(CNC(=O)c2cncnc2)C1c1cnn(C)c1 |
MW: | 360.19 |
Fraction sp3: | 0.53 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 94.4 |
cLogP: | 0.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-49
0.529
MAR-TRE-e82e6c98-4
0.528
MAR-TRE-e82e6c98-3
0.523
MAR-TRE-e82e6c98-62
0.517
MAR-TRE-be9ff7d2-77
0.444
MAR-TRE-c317dd82-20
0.414
MAR-TRE-c317dd82-51
0.411
MAR-TRE-e82e6c98-37
0.404
MAR-TRE-be9ff7d2-24
0.398
MAR-TRE-be9ff7d2-100
0.398
MAR-TRE-be9ff7d2-96
0.390
MAR-TRE-c317dd82-6
0.389
MAR-TRE-be9ff7d2-80
0.388
MAR-TRE-e82e6c98-84
0.388
MAR-TRE-e82e6c98-10
0.376
MAR-TRE-c317dd82-54
0.371
MAR-TRE-8190bb11-46
0.351
MAR-TRE-e82e6c98-59
0.347
MAR-TRE-e82e6c98-47
0.345
MAR-TRE-be9ff7d2-51
0.344
MAR-TRE-66ac689e-69
0.343
MAR-TRE-c317dd82-32
0.343
MAR-TRE-e82e6c98-16
0.341
MAR-TRE-e82e6c98-12
0.337
MAR-TRE-c317dd82-60
0.337
MAR-TRE-799db12b-67
0.336
MAR-TRE-c317dd82-50
0.333
MAR-TRE-e82e6c98-71
0.333
MAR-TRE-8190bb11-2
0.330
MAR-TRE-c317dd82-11
0.330
MAR-TRE-e82e6c98-96
0.330
MAR-TRE-c317dd82-55
0.330
MAR-TRE-e82e6c98-82
0.327
MAR-TRE-be9ff7d2-95
0.323
MAR-TRE-c317dd82-81
0.323
MAR-TRE-e82e6c98-2
0.323
MAR-TRE-e82e6c98-5
0.323
MAR-TRE-799db12b-98
0.320
MAR-TRE-be9ff7d2-60
0.320
MAR-TRE-e82e6c98-36
0.320
MAR-TRE-e82e6c98-56
0.319
MAR-TRE-799db12b-21
0.318
MAR-TRE-a9136c7b-5
0.317
MAR-TRE-92684b97-14
0.316
MAR-TRE-e82e6c98-65
0.315
MAR-TRE-e82e6c98-48
0.315
MAR-TRE-a9136c7b-37
0.314
MAR-TRE-be9ff7d2-99
0.313
MAR-TRE-799db12b-89
0.312
MAR-TRE-c317dd82-4
0.312
MAR-TRE-e82e6c98-61
0.312
MAR-TRE-be9ff7d2-14
0.312
MAR-TRE-e82e6c98-26
0.311
MAR-TRE-a9136c7b-83
0.311
MAR-TRE-799db12b-18
0.311
MAR-TRE-c317dd82-67
0.311
MAR-TRE-c317dd82-5
0.310
MAR-TRE-c317dd82-12
0.310
MAR-TRE-799db12b-7
0.309
MAR-TRE-be9ff7d2-81
0.309
MAR-TRE-66ac689e-34
0.309
MAR-TRE-66ac689e-67
0.309
MAR-TRE-66ac689e-98
0.309
MAR-TRE-92684b97-54
0.309
MAR-TRE-c317dd82-29
0.308
MAR-TRE-8190bb11-96
0.308
MAR-TRE-e82e6c98-76
0.308
MAR-TRE-799db12b-64
0.307
MAR-TRE-c317dd82-61
0.306
MAR-TRE-e82e6c98-40
0.306
MAR-TRE-799db12b-33
0.306
MAR-TRE-c317dd82-97
0.306
MAR-TRE-4f781e27-89
0.306
MAR-TRE-be9ff7d2-18
0.305
MAR-TRE-e82e6c98-34
0.305
MAR-TRE-8190bb11-33
0.305
MAR-TRE-be9ff7d2-32
0.305
MAR-TRE-c317dd82-40
0.305
MAR-TRE-e82e6c98-35
0.305
MAR-TRE-e82e6c98-67
0.305
MAR-TRE-a9136c7b-85
0.304
MAR-TRE-e82e6c98-97
0.303
MAR-TRE-9d18ae8c-13
0.303
MAR-TRE-c317dd82-33
0.303
MAR-TRE-4f781e27-48
0.303
MAR-TRE-9d18ae8c-55
0.303
MAR-TRE-e82e6c98-60
0.302
MAR-TRE-c317dd82-49
0.302
MAR-TRE-a9136c7b-11
0.302
MAR-TRE-c317dd82-69
0.300
MAR-TRE-4f781e27-7
0.299
MAR-TRE-e82e6c98-31
0.299
MAR-TRE-e82e6c98-93
0.299
MAR-TRE-c317dd82-47
0.298
MAR-TRE-c317dd82-92
0.298
MAR-TRE-4f781e27-22
0.298
MAR-TRE-799db12b-8
0.297
MAR-TRE-be9ff7d2-49
0.297
MAR-TRE-92684b97-74
0.297
MAR-TRE-c317dd82-64
0.296