Molecular Properties | |
SMILES: | O=C(O)CCCn1cnc2c(NC(=O)c3cncnc3)ncnc21 |
MW: | 327.11 |
Fraction sp3: | 0.21 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 135.78 |
cLogP: | 0.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-85
0.367
MAR-TRE-be9ff7d2-15
0.318
MAR-TRE-9d18ae8c-89
0.318
MAR-TRE-e82e6c98-92
0.316
MAR-TRE-c317dd82-36
0.315
MAR-TRE-be9ff7d2-50
0.311
MAR-TRE-9d18ae8c-14
0.300
MAR-TRE-be9ff7d2-83
0.299
MAR-TRE-e82e6c98-27
0.298
MAR-TRE-799db12b-74
0.295
MAR-TRE-a9136c7b-50
0.293
MAR-TRE-66ac689e-30
0.292
MAR-TRE-be9ff7d2-20
0.291
MAR-TRE-e82e6c98-80
0.291
MAR-TRE-9d18ae8c-69
0.289
MAR-TRE-66ac689e-51
0.289
MAR-TRE-e82e6c98-23
0.287
MAR-TRE-66ac689e-24
0.287
MAR-TRE-a9136c7b-18
0.286
MAR-TRE-4f781e27-1
0.286
MAR-TRE-8190bb11-33
0.286
MAR-TRE-66ac689e-8
0.283
MAR-TRE-8190bb11-40
0.283
MAR-TRE-9d18ae8c-35
0.283
MAR-TRE-be9ff7d2-36
0.282
MAR-TRE-8190bb11-51
0.281
MAR-TRE-c317dd82-21
0.280
MAR-TRE-8190bb11-7
0.280
MAR-TRE-e82e6c98-52
0.280
MAR-TRE-4f781e27-7
0.280
MAR-TRE-e82e6c98-8
0.280
MAR-TRE-c317dd82-13
0.278
MAR-TRE-c317dd82-95
0.278
MAR-TRE-c317dd82-92
0.278
MAR-TRE-9d18ae8c-48
0.278
MAR-TRE-c317dd82-91
0.278
MAR-TRE-c317dd82-23
0.277
MAR-TRE-92684b97-78
0.277
MAR-TRE-c317dd82-68
0.277
MAR-TRE-66ac689e-40
0.277
MAR-TRE-4f781e27-98
0.276
MAR-TRE-e82e6c98-74
0.276
MAR-TRE-8190bb11-48
0.276
MAR-TRE-4f781e27-12
0.276
MAR-TRE-e82e6c98-72
0.276
MAR-TRE-be9ff7d2-45
0.275
MAR-TRE-9d18ae8c-58
0.275
MAR-TRE-799db12b-60
0.274
MAR-TRE-66ac689e-89
0.274
MAR-TRE-8190bb11-34
0.274
MAR-TRE-be9ff7d2-46
0.274
MAR-TRE-4f781e27-34
0.274
MAR-TRE-9d18ae8c-15
0.273
MAR-TRE-be9ff7d2-75
0.273
MAR-TRE-8190bb11-65
0.273
MAR-TRE-66ac689e-88
0.273
MAR-TRE-a9136c7b-55
0.272
MAR-TRE-be9ff7d2-18
0.272
MAR-TRE-be9ff7d2-93
0.272
MAR-TRE-799db12b-50
0.272
MAR-TRE-c317dd82-16
0.271
MAR-TRE-799db12b-93
0.271
MAR-TRE-c317dd82-7
0.271
MAR-TRE-4f781e27-49
0.271
MAR-TRE-66ac689e-59
0.270
MAR-TRE-4f781e27-42
0.270
MAR-TRE-be9ff7d2-1
0.270
MAR-TRE-a9136c7b-34
0.269
MAR-TRE-66ac689e-1
0.268
MAR-TRE-799db12b-17
0.267
MAR-TRE-be9ff7d2-42
0.267
MAR-TRE-be9ff7d2-43
0.267
MAR-TRE-e82e6c98-93
0.266
MAR-TRE-be9ff7d2-30
0.266
MAR-TRE-e82e6c98-18
0.266
MAR-TRE-be9ff7d2-56
0.265
MAR-TRE-8190bb11-99
0.265
MAR-TRE-92684b97-66
0.264
MAR-TRE-e82e6c98-54
0.264
MAR-TRE-e82e6c98-11
0.264
MAR-TRE-8190bb11-69
0.264
MAR-TRE-4f781e27-31
0.264
MAR-TRE-66ac689e-31
0.263
MAR-TRE-66ac689e-76
0.263
MAR-TRE-be9ff7d2-92
0.263
MAR-TRE-e82e6c98-5
0.263
MAR-TRE-e82e6c98-64
0.263
MAR-TRE-66ac689e-10
0.263
MAR-TRE-4f781e27-72
0.261
MAR-TRE-e82e6c98-26
0.261
MAR-TRE-e82e6c98-29
0.261
MAR-TRE-799db12b-63
0.261
MAR-TRE-66ac689e-100
0.261
MAR-TRE-799db12b-20
0.261
MAR-TRE-e82e6c98-50
0.261
MAR-TRE-9d18ae8c-83
0.260
MAR-TRE-e82e6c98-38
0.260
MAR-TRE-a9136c7b-100
0.260
MAR-TRE-9d18ae8c-12
0.260
MAR-TRE-e82e6c98-24
0.260