Molecular Properties | |
SMILES: | O=C(O)Cn1cnc2c(=O)[nH]c(NC(=O)c3cncnc3)nc21 |
MW: | 315.07 |
Fraction sp3: | 0.08 |
HBA: | 8 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 155.75 |
cLogP: | -0.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-52
0.367
MAR-TRE-be9ff7d2-56
0.333
MAR-TRE-be9ff7d2-36
0.333
MAR-TRE-be9ff7d2-83
0.318
MAR-TRE-be9ff7d2-20
0.310
MAR-TRE-66ac689e-51
0.307
MAR-TRE-66ac689e-89
0.304
MAR-TRE-be9ff7d2-18
0.303
MAR-TRE-be9ff7d2-93
0.303
MAR-TRE-c317dd82-36
0.303
MAR-TRE-be9ff7d2-94
0.301
MAR-TRE-e82e6c98-27
0.301
MAR-TRE-be9ff7d2-50
0.300
MAR-TRE-8190bb11-51
0.299
MAR-TRE-a9136c7b-50
0.296
MAR-TRE-c317dd82-91
0.295
MAR-TRE-c317dd82-95
0.295
MAR-TRE-e82e6c98-80
0.294
MAR-TRE-66ac689e-40
0.293
MAR-TRE-be9ff7d2-15
0.292
MAR-TRE-9d18ae8c-58
0.292
MAR-TRE-4f781e27-98
0.291
MAR-TRE-66ac689e-24
0.290
MAR-TRE-be9ff7d2-32
0.289
MAR-TRE-9d18ae8c-12
0.289
MAR-TRE-a9136c7b-18
0.289
MAR-TRE-66ac689e-18
0.287
MAR-TRE-66ac689e-4
0.287
MAR-TRE-66ac689e-66
0.286
MAR-TRE-c317dd82-70
0.286
MAR-TRE-85681e92-31
0.284
MAR-TRE-be9ff7d2-13
0.284
MAR-TRE-e82e6c98-7
0.282
MAR-TRE-c317dd82-29
0.282
MAR-TRE-a9136c7b-84
0.281
MAR-TRE-92684b97-78
0.280
MAR-TRE-a9136c7b-42
0.280
MAR-TRE-66ac689e-31
0.280
MAR-TRE-4f781e27-13
0.280
MAR-TRE-4f781e27-12
0.279
MAR-TRE-4f781e27-72
0.279
MAR-TRE-a9136c7b-73
0.278
MAR-TRE-c317dd82-1
0.278
MAR-TRE-be9ff7d2-45
0.278
MAR-TRE-799db12b-63
0.278
MAR-TRE-799db12b-20
0.278
MAR-TRE-9d18ae8c-83
0.277
MAR-TRE-be9ff7d2-21
0.277
MAR-TRE-be9ff7d2-46
0.277
MAR-TRE-9d18ae8c-73
0.276
MAR-TRE-9d18ae8c-89
0.276
MAR-TRE-be9ff7d2-25
0.276
MAR-TRE-66ac689e-88
0.276
MAR-TRE-799db12b-50
0.275
MAR-TRE-66ac689e-50
0.275
MAR-TRE-92684b97-58
0.275
MAR-TRE-e82e6c98-70
0.274
MAR-TRE-e82e6c98-63
0.274
MAR-TRE-8190bb11-21
0.274
MAR-TRE-a9136c7b-1
0.273
MAR-TRE-8190bb11-53
0.273
MAR-TRE-4f781e27-42
0.273
MAR-TRE-a9136c7b-43
0.273
MAR-TRE-9d18ae8c-63
0.273
MAR-TRE-a9136c7b-34
0.272
MAR-TRE-66ac689e-8
0.272
MAR-TRE-66ac689e-43
0.272
MAR-TRE-66ac689e-99
0.271
MAR-TRE-9d18ae8c-59
0.271
MAR-TRE-e82e6c98-22
0.270
MAR-TRE-be9ff7d2-43
0.270
MAR-TRE-e82e6c98-75
0.270
MAR-TRE-799db12b-74
0.270
MAR-TRE-c317dd82-55
0.270
MAR-TRE-c317dd82-87
0.270
MAR-TRE-e82e6c98-48
0.270
MAR-TRE-8190bb11-7
0.269
MAR-TRE-e82e6c98-93
0.269
MAR-TRE-8190bb11-30
0.269
MAR-TRE-c317dd82-21
0.268
MAR-TRE-c317dd82-13
0.268
MAR-TRE-8190bb11-13
0.267
MAR-TRE-92684b97-66
0.267
MAR-TRE-be9ff7d2-88
0.267
MAR-TRE-4f781e27-46
0.267
MAR-TRE-92684b97-21
0.267
MAR-TRE-92684b97-56
0.267
MAR-TRE-e82e6c98-11
0.267
MAR-TRE-8190bb11-69
0.267
MAR-TRE-8190bb11-84
0.267
MAR-TRE-4f781e27-31
0.267
MAR-TRE-c317dd82-92
0.267
MAR-TRE-66ac689e-30
0.267
MAR-TRE-92684b97-86
0.267
MAR-TRE-66ac689e-76
0.266
MAR-TRE-c317dd82-68
0.265
MAR-TRE-4f781e27-95
0.264
MAR-TRE-e82e6c98-74
0.264
MAR-TRE-66ac689e-57
0.264
MAR-TRE-8190bb11-48
0.264