Molecular Properties | |
SMILES: | O=C(Nc1cnn(CCN2CCNC2=O)c1)c1cncnc1 |
MW: | 301.13 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.04 |
cLogP: | -0.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-80
0.500
MAR-TRE-c317dd82-7
0.487
MAR-TRE-c317dd82-91
0.474
MAR-TRE-c317dd82-59
0.469
MAR-TRE-66ac689e-40
0.444
MAR-TRE-66ac689e-26
0.412
MAR-TRE-a9136c7b-57
0.368
MAR-TRE-66ac689e-51
0.361
MAR-TRE-9d18ae8c-58
0.361
MAR-TRE-66ac689e-31
0.360
MAR-TRE-e82e6c98-19
0.358
MAR-TRE-a9136c7b-42
0.345
MAR-TRE-e82e6c98-10
0.341
MAR-TRE-be9ff7d2-44
0.337
MAR-TRE-8190bb11-7
0.333
MAR-TRE-8190bb11-64
0.333
MAR-TRE-4f781e27-31
0.333
MAR-TRE-c317dd82-45
0.330
MAR-TRE-8190bb11-65
0.329
MAR-TRE-c317dd82-23
0.326
MAR-TRE-c317dd82-36
0.326
MAR-TRE-66ac689e-2
0.326
MAR-TRE-e82e6c98-48
0.321
MAR-TRE-799db12b-40
0.319
MAR-TRE-66ac689e-21
0.318
MAR-TRE-8190bb11-69
0.318
MAR-TRE-4f781e27-12
0.317
MAR-TRE-e82e6c98-26
0.317
MAR-TRE-c317dd82-13
0.315
MAR-TRE-e82e6c98-5
0.315
MAR-TRE-e82e6c98-64
0.315
MAR-TRE-be9ff7d2-25
0.313
MAR-TRE-8190bb11-96
0.313
MAR-TRE-9d18ae8c-15
0.313
MAR-TRE-c317dd82-20
0.313
MAR-TRE-e82e6c98-4
0.312
MAR-TRE-4f781e27-49
0.312
MAR-TRE-e82e6c98-85
0.312
MAR-TRE-e82e6c98-62
0.312
MAR-TRE-799db12b-39
0.310
MAR-TRE-e82e6c98-35
0.310
MAR-TRE-9d18ae8c-29
0.310
MAR-TRE-be9ff7d2-94
0.309
MAR-TRE-799db12b-34
0.308
MAR-TRE-799db12b-72
0.308
MAR-TRE-c317dd82-6
0.307
MAR-TRE-66ac689e-8
0.307
MAR-TRE-be9ff7d2-13
0.306
MAR-TRE-e82e6c98-22
0.306
MAR-TRE-e82e6c98-47
0.305
MAR-TRE-be9ff7d2-77
0.304
MAR-TRE-4f781e27-67
0.304
MAR-TRE-c317dd82-69
0.304
MAR-TRE-a9136c7b-61
0.303
MAR-TRE-799db12b-17
0.302
MAR-TRE-be9ff7d2-20
0.301
MAR-TRE-c317dd82-60
0.301
MAR-TRE-66ac689e-34
0.300
MAR-TRE-be9ff7d2-92
0.300
MAR-TRE-66ac689e-29
0.300
MAR-TRE-66ac689e-54
0.298
MAR-TRE-66ac689e-88
0.298
MAR-TRE-c317dd82-63
0.298
MAR-TRE-66ac689e-24
0.297
MAR-TRE-be9ff7d2-60
0.297
MAR-TRE-e82e6c98-36
0.297
MAR-TRE-be9ff7d2-24
0.296
MAR-TRE-8190bb11-33
0.295
MAR-TRE-4f781e27-76
0.295
MAR-TRE-9d18ae8c-2
0.295
MAR-TRE-be9ff7d2-32
0.295
MAR-TRE-e82e6c98-49
0.295
MAR-TRE-4f781e27-1
0.295
MAR-TRE-be9ff7d2-83
0.294
MAR-TRE-799db12b-43
0.293
MAR-TRE-8190bb11-90
0.293
MAR-TRE-a9136c7b-11
0.293
MAR-TRE-be9ff7d2-33
0.293
MAR-TRE-e82e6c98-27
0.293
MAR-TRE-c317dd82-70
0.292
MAR-TRE-be9ff7d2-50
0.292
MAR-TRE-e82e6c98-28
0.292
MAR-TRE-e82e6c98-60
0.292
MAR-TRE-66ac689e-20
0.292
MAR-TRE-c317dd82-51
0.292
MAR-TRE-e82e6c98-3
0.292
MAR-TRE-be9ff7d2-52
0.292
MAR-TRE-4f781e27-43
0.291
MAR-TRE-8190bb11-100
0.290
MAR-TRE-e82e6c98-82
0.290
MAR-TRE-799db12b-99
0.290
MAR-TRE-c317dd82-96
0.289
MAR-TRE-be9ff7d2-14
0.289
MAR-TRE-8190bb11-30
0.289
MAR-TRE-4f781e27-7
0.289
MAR-TRE-c317dd82-90
0.289
MAR-TRE-c317dd82-68
0.287
MAR-TRE-c317dd82-54
0.287
MAR-TRE-c317dd82-92
0.287
MAR-TRE-a9136c7b-72
0.287