Molecular Properties | |
SMILES: | O=C(O)C(Cc1ccc(O)c(F)c1)Nc1cncnc1 |
MW: | 277.09 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 95.34 |
cLogP: | 1.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-85681e92-46
0.712
MAR-TRE-85681e92-42
0.677
MAR-TRE-85681e92-78
0.677
MAR-TRE-85681e92-70
0.600
MAR-TRE-85681e92-74
0.565
MAR-TRE-85681e92-91
0.556
MAR-TRE-85681e92-29
0.515
MAR-TRE-8190bb11-76
0.468
MAR-TRE-85681e92-57
0.458
MAR-TRE-85681e92-64
0.449
MAR-TRE-85681e92-73
0.443
MAR-TRE-85681e92-51
0.441
MAR-TRE-85681e92-60
0.430
MAR-TRE-85681e92-88
0.429
MAR-TRE-66ac689e-87
0.423
MAR-TRE-85681e92-45
0.418
NIC-BIO-7d400292-1
0.403
MAR-TRE-85681e92-38
0.395
MAR-TRE-85681e92-34
0.389
MAR-TRE-85681e92-20
0.386
NIC-BIO-7d400292-2
0.380
NIC-BIO-7d400292-4
0.376
MAR-TRE-85681e92-39
0.368
MAR-TRE-4f39ef4a-13
0.364
MAR-TRE-66ac689e-81
0.359
NIC-BIO-7d400292-3
0.357
MAR-TRE-8190bb11-97
0.355
MAR-TRE-e86a56b5-35
0.354
MAR-TRE-85681e92-92
0.349
MAR-TRE-4f781e27-56
0.346
MAR-TRE-85681e92-49
0.343
MAR-TRE-8190bb11-18
0.341
MAR-TRE-85681e92-83
0.339
MAR-TRE-4f781e27-24
0.338
MAR-TRE-8190bb11-23
0.337
MAR-TRE-8190bb11-17
0.333
MAR-TRE-92684b97-98
0.329
MAR-TRE-be9ff7d2-84
0.325
MAR-TRE-92684b97-41
0.325
MAR-TRE-66ac689e-19
0.322
MAR-TRE-e86a56b5-41
0.321
MAR-TRE-e82e6c98-20
0.321
MAR-TRE-c317dd82-95
0.310
MAR-TRE-85681e92-71
0.310
MAR-TRE-fffca54f-71
0.308
MAR-TRE-85681e92-37
0.303
MAR-TRE-8190bb11-68
0.302
MAR-TRE-85681e92-47
0.296
MAR-TRE-8190bb11-48
0.295
MAR-TRE-4f781e27-39
0.295
MAR-TRE-8190bb11-70
0.291
MAR-TRE-66ac689e-48
0.289
MAR-TRE-92684b97-75
0.287
MAR-TRE-799db12b-96
0.287
MAR-TRE-87acfbcc-51
0.287
MAR-TRE-66ac689e-41
0.287
MAR-TRE-799db12b-15
0.286
MAR-TRE-92684b97-91
0.282
MAR-TRE-e86a56b5-45
0.282
MAR-TRE-e86a56b5-62
0.282
MAR-TRE-92684b97-86
0.280
MAR-TRE-85681e92-56
0.280
MAR-TRE-9d18ae8c-19
0.278
MAR-TRE-be9ff7d2-10
0.278
MAR-TRE-799db12b-79
0.277
MAR-TRE-66ac689e-68
0.277
MAR-TRE-e86a56b5-63
0.275
MAR-TRE-e86a56b5-71
0.275
MAR-TRE-fffca54f-96
0.275
MAR-TRE-92684b97-51
0.275
MAR-TRE-e86a56b5-52
0.274
MAR-TRE-be9ff7d2-93
0.274
MAR-TRE-be9ff7d2-61
0.274
MAR-TRE-4f781e27-93
0.273
MAR-TRE-799db12b-61
0.272
MAR-TRE-e86a56b5-88
0.271
MAR-TRE-92684b97-47
0.271
MAR-TRE-66ac689e-97
0.271
MAR-TRE-92684b97-92
0.270
MAR-TRE-e86a56b5-66
0.269
MAR-TRE-799db12b-12
0.269
MAR-TRE-9d18ae8c-20
0.269
MAR-TRE-92684b97-72
0.268
MAR-TRE-e82e6c98-100
0.268
MAR-TRE-66ac689e-95
0.268
MAR-TRE-9d18ae8c-86
0.267
MAR-TRE-85681e92-85
0.267
MAR-TRE-a9136c7b-33
0.265
MAR-TRE-87acfbcc-59
0.265
MAR-TRE-a9136c7b-46
0.264
MAR-TRE-e86a56b5-64
0.264
MAR-TRE-e86a56b5-40
0.264
MAR-TRE-9d18ae8c-24
0.264
MAR-TRE-a9136c7b-22
0.263
MAR-TRE-e86a56b5-46
0.263
MAR-TRE-92684b97-85
0.262
MAR-TRE-be9ff7d2-21
0.261
MAR-TRE-92684b97-5
0.261
JAN-GHE-5a013bed-9
0.260
MAR-TRE-4f781e27-84
0.259