Molecular Properties | |
SMILES: | O=C(NCCC1CN(c2ncnc3[nH]ncc23)c2ccccc21)c1cncnc1 |
MW: | 386.16 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 112.58 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-37
0.350
MAR-TRE-a9136c7b-23
0.324
MAR-TRE-8190bb11-96
0.323
MAR-TRE-c317dd82-29
0.322
MAR-TRE-799db12b-68
0.321
MAR-TRE-e82e6c98-22
0.317
MAR-TRE-c317dd82-92
0.314
MAR-TRE-8190bb11-39
0.306
MAR-TRE-66ac689e-67
0.299
MAR-TRE-be9ff7d2-41
0.297
MAR-TRE-8190bb11-33
0.295
MAR-TRE-4f781e27-100
0.295
MAR-TRE-4f781e27-83
0.294
MAR-TRE-8190bb11-64
0.292
MAR-TRE-66ac689e-91
0.291
MAR-TRE-e82e6c98-47
0.290
MAR-TRE-799db12b-89
0.290
MAR-TRE-8190bb11-30
0.290
MAR-TRE-4f781e27-7
0.290
MAR-TRE-66ac689e-29
0.287
MAR-TRE-c317dd82-83
0.286
MAR-TRE-92684b97-44
0.283
MAR-TRE-4f781e27-96
0.283
MAR-TRE-66ac689e-59
0.282
MAR-TRE-e82e6c98-91
0.280
MAR-TRE-66ac689e-35
0.280
MAR-TRE-e82e6c98-48
0.279
MAR-TRE-9d18ae8c-79
0.278
MAR-TRE-e82e6c98-8
0.278
MAR-TRE-e82e6c98-51
0.277
MAR-TRE-be9ff7d2-19
0.276
MAR-TRE-4f781e27-28
0.276
MAR-TRE-9d18ae8c-39
0.276
MAR-TRE-66ac689e-34
0.275
MAR-TRE-4f781e27-88
0.275
MAR-TRE-e82e6c98-95
0.275
MAR-TRE-8190bb11-46
0.275
MAR-TRE-4f781e27-65
0.275
MAR-TRE-e82e6c98-26
0.275
MAR-TRE-66ac689e-54
0.274
MAR-TRE-e82e6c98-29
0.274
MAR-TRE-e82e6c98-10
0.273
MAR-TRE-799db12b-48
0.273
MAR-TRE-c317dd82-11
0.272
MAR-TRE-66ac689e-53
0.272
MAR-TRE-9d18ae8c-89
0.272
MAR-TRE-c317dd82-33
0.270
MAR-TRE-be9ff7d2-37
0.270
MAR-TRE-e82e6c98-6
0.270
MAR-TRE-66ac689e-47
0.270
MAR-TRE-92684b97-43
0.270
MAR-TRE-c317dd82-51
0.270
MAR-TRE-4f781e27-19
0.269
MAR-TRE-8190bb11-95
0.269
MAR-TRE-e82e6c98-60
0.269
MAR-TRE-a9136c7b-6
0.268
MAR-TRE-a9136c7b-17
0.268
MAR-TRE-4f781e27-23
0.268
MAR-TRE-be9ff7d2-5
0.267
MAR-TRE-92684b97-76
0.267
MAR-TRE-be9ff7d2-42
0.267
MAR-TRE-799db12b-21
0.266
MAR-TRE-e82e6c98-61
0.266
MAR-TRE-92684b97-53
0.266
MAR-TRE-799db12b-69
0.265
MAR-TRE-8190bb11-8
0.265
MAR-TRE-e82e6c98-25
0.265
MAR-TRE-8190bb11-99
0.265
MAR-TRE-4f781e27-85
0.265
MAR-TRE-e82e6c98-54
0.265
MAR-TRE-799db12b-29
0.264
MAR-TRE-9d18ae8c-81
0.264
MAR-TRE-e82e6c98-64
0.264
MAR-TRE-4f781e27-81
0.264
MAR-TRE-be9ff7d2-81
0.264
MAR-TRE-799db12b-52
0.264
MAR-TRE-e82e6c98-37
0.263
MAR-TRE-799db12b-64
0.263
MAR-TRE-799db12b-65
0.263
MAR-TRE-be9ff7d2-24
0.263
MAR-TRE-be9ff7d2-100
0.263
MAR-TRE-8190bb11-48
0.262
MAR-TRE-9d18ae8c-74
0.262
MAR-TRE-66ac689e-26
0.262
MAR-TRE-be9ff7d2-40
0.262
MAR-TRE-e82e6c98-50
0.262
MAR-TRE-8190bb11-41
0.262
MAR-TRE-8190bb11-81
0.262
MAR-TRE-8190bb11-82
0.262
MAR-TRE-be9ff7d2-60
0.261
MAR-TRE-799db12b-59
0.261
MAR-TRE-92684b97-5
0.261
MAR-TRE-9d18ae8c-65
0.261
MAR-TRE-9d18ae8c-66
0.261
MAR-TRE-9d18ae8c-61
0.260
MAR-TRE-9d18ae8c-78
0.260
MAR-TRE-4f781e27-99
0.260
MAR-TRE-e82e6c98-56
0.259
MAR-TRE-be9ff7d2-32
0.259
MAR-TRE-66ac689e-50
0.259