Molecular Properties | |
SMILES: | O=C(c1cnc2ccccc2n1)c1nc(O)oc1CCl |
MW: | 289.03 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 89.11 |
cLogP: | 2.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-aca67d11-18
0.576
MAR-TRE-8a25d817-48
0.441
MAR-TRE-8a25d817-9
0.411
MAR-TRE-8a25d817-74
0.394
MAR-TRE-8a25d817-18
0.387
MAR-TRE-8a25d817-17
0.359
MAR-TRE-8a25d817-97
0.348
MAR-TRE-8a25d817-94
0.343
MAR-TRE-8a25d817-57
0.343
MAR-TRE-8a25d817-5
0.338
MAR-TRE-8a25d817-88
0.333
MAR-TRE-8a25d817-95
0.333
RED-RED-10c9212c-30
0.330
MAR-TRE-8a25d817-45
0.329
MAR-TRE-8a25d817-44
0.329
MAR-TRE-8a25d817-39
0.324
MAR-TRE-8a25d817-59
0.323
MAR-TRE-8a25d817-70
0.316
MAR-TRE-8a25d817-14
0.316
MAR-TRE-8a25d817-6
0.315
MAR-TRE-8a25d817-21
0.313
MAR-TRE-8a25d817-72
0.308
MAR-TRE-8a25d817-83
0.304
MAR-TRE-8a25d817-28
0.304
MAR-TRE-8a25d817-81
0.303
MAR-TRE-8a25d817-98
0.295
MAR-TRE-8a25d817-84
0.294
MAR-TRE-8a25d817-86
0.294
MAR-TRE-8a25d817-75
0.291
MAR-TRE-8a25d817-52
0.291
MAR-TRE-8a25d817-51
0.290
MAR-TRE-8a25d817-33
0.287
MAR-TRE-8a25d817-42
0.286
MAR-TRE-aca67d11-28
0.286
MAR-TRE-8a25d817-79
0.286
MAR-TRE-8a25d817-16
0.284
MAR-TRE-8a25d817-92
0.284
MAR-TRE-8a25d817-60
0.282
MAR-TRE-8a25d817-2
0.278
MAR-TRE-8a25d817-32
0.278
MAR-TRE-8a25d817-55
0.277
MAR-TRE-8a25d817-46
0.275
DRV-DNY-ae159ed1-11
0.275
MAR-TRE-8a25d817-27
0.274
MAR-TRE-8a25d817-26
0.273
DRV-DNY-ae159ed1-17
0.272
MAR-TRE-8a25d817-49
0.271
MAR-TRE-8a25d817-69
0.271
MAR-TRE-8a25d817-20
0.271
DRV-DNY-ae159ed1-8
0.271
DRV-DNY-ae159ed1-3
0.268
DRV-DNY-ae159ed1-13
0.268
MAR-TRE-8a25d817-76
0.268
MAR-TRE-8a25d817-41
0.268
MAR-TRE-8a25d817-11
0.267
MAR-TRE-8a25d817-71
0.267
DRV-DNY-ae159ed1-1
0.266
MAR-TRE-8a25d817-24
0.265
MAR-TRE-8a25d817-67
0.264
MAR-TRE-8a25d817-23
0.264
MAR-TRE-8a25d817-77
0.260
MAR-TRE-8a25d817-91
0.260
MAR-TRE-8a25d817-10
0.260
MAR-TRE-8a25d817-19
0.260
DRV-DNY-ae159ed1-10
0.259
DRV-DNY-ae159ed1-12
0.259
MAR-TRE-8a25d817-65
0.257
MAR-TRE-8a25d817-53
0.257
MAR-TRE-8a25d817-96
0.257
MAR-TRE-8a25d817-7
0.256
DRV-DNY-ae159ed1-15
0.256
DRV-DNY-ae159ed1-9
0.256
MAR-TRE-8a25d817-22
0.253
DRV-DNY-ae159ed1-2
0.253
DRV-DNY-ae159ed1-4
0.253
DRV-DNY-ae159ed1-6
0.253
DRV-DNY-ae159ed1-16
0.253
MAR-TRE-8a25d817-31
0.253
DRV-DNY-ae159ed1-5
0.253
MAR-TRE-8a25d817-64
0.250
DRV-DNY-ae159ed1-20
0.250
DRV-DNY-5c7d8ee8-1
0.250
DRV-DNY-ae159ed1-18
0.250
MAR-TRE-66ac689e-39
0.250
MAR-TRE-8a25d817-63
0.250
MAR-TRE-8a25d817-15
0.250
MAR-TRE-8a25d817-68
0.250
MAR-TRE-8a25d817-58
0.250
MAR-TRE-8a25d817-30
0.250
MAR-TRE-8a25d817-8
0.250
DRV-DNY-ae159ed1-19
0.247
DRV-DNY-ae159ed1-7
0.247
MAR-TRE-8a25d817-62
0.247
MAR-TRE-8a25d817-47
0.247
MAR-TRE-8a25d817-38
0.247
MAR-TRE-8a25d817-4
0.244
MAR-TRE-8a25d817-37
0.243
DRV-DNY-ae159ed1-14
0.241
MAR-TRE-aca67d11-49
0.241
MAR-TRE-8a25d817-3
0.241