Molecular Properties | |
SMILES: | ClCc1ncc(NCc2cccnc2)[nH]1 |
MW: | 222.07 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 53.6 |
cLogP: | 2.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-98
0.564
MAR-TRE-87acfbcc-93
0.500
MAR-TRE-423310b6-46
0.459
MAR-TRE-87acfbcc-33
0.443
MAR-TRE-87acfbcc-90
0.442
MAR-TRE-87acfbcc-66
0.429
MAR-TRE-87acfbcc-73
0.424
MAR-TRE-87acfbcc-49
0.410
MAR-TRE-0fda4e82-32
0.403
MAR-TRE-87acfbcc-34
0.403
MAR-TRE-87acfbcc-94
0.397
MAR-TRE-87acfbcc-45
0.387
MAR-TRE-87acfbcc-86
0.383
MAR-TRE-87acfbcc-17
0.375
MAR-TRE-87acfbcc-89
0.365
MAR-TRE-87acfbcc-55
0.365
MAR-TRE-87acfbcc-4
0.365
MAR-TRE-87acfbcc-44
0.362
MAR-TRE-87acfbcc-62
0.359
MAR-TRE-87acfbcc-32
0.338
MAR-TRE-87acfbcc-54
0.338
MAR-TRE-87acfbcc-58
0.338
MAR-TRE-87acfbcc-81
0.333
AUS-ARG-7cfdce8f-6
0.320
MAR-TRE-87acfbcc-71
0.318
MAR-TRE-87acfbcc-61
0.315
MAR-TRE-423310b6-43
0.310
MAR-TRE-87acfbcc-50
0.309
SER-UNI-985a0e14-2
0.308
ANT-DIA-b7f58f21-1
0.306
MAR-TRE-87acfbcc-79
0.306
MAR-TRE-87acfbcc-7
0.303
NAU-LAT-64f4b287-9
0.303
MAR-TRE-87acfbcc-12
0.302
MAR-TRE-d0525fbf-91
0.301
MAR-TRE-87acfbcc-28
0.300
MAR-TRE-87acfbcc-47
0.299
MAR-TRE-a3327163-55
0.298
MAR-TRE-87acfbcc-36
0.297
MAR-TRE-87acfbcc-41
0.297
CHA-MCP-85291e1d-7
0.295
DRR-IMP-38dce17f-4
0.294
MAR-TRE-87acfbcc-38
0.292
MAR-TRE-87acfbcc-70
0.292
MAR-TRE-87acfbcc-10
0.292
MAR-TRE-87acfbcc-35
0.292
BAR-COM-4e090d3a-69
0.289
MAR-TRE-87acfbcc-13
0.288
MAR-TRE-87acfbcc-91
0.288
MAR-TRE-87acfbcc-95
0.288
MAR-TRE-87acfbcc-19
0.288
MAR-TRE-4f781e27-34
0.287
BEN-DND-61647d40-17
0.284
MAR-TRE-87acfbcc-51
0.284
MAR-TRE-87acfbcc-20
0.284
MAR-TRE-87acfbcc-37
0.284
MAR-TRE-87acfbcc-15
0.284
MAR-TRE-87acfbcc-48
0.284
MAR-TRE-87acfbcc-14
0.282
MAR-TRE-85681e92-95
0.281
MAR-TRE-d3c2bf0e-55
0.281
MAR-TRE-87acfbcc-11
0.279
STE-UNK-dfade101-1
0.279
MAR-TRE-87acfbcc-8
0.279
MAR-TRE-fd17a9b8-80
0.278
MAR-TRE-87acfbcc-22
0.278
MAR-TRE-87acfbcc-72
0.278
MAR-TRE-87acfbcc-59
0.276
MAR-TRE-fd17a9b8-69
0.276
MAR-TRE-87acfbcc-100
0.275
MAR-TRE-87acfbcc-39
0.274
MAR-TRE-87acfbcc-46
0.271
MAR-TRE-87acfbcc-21
0.271
MAR-TRE-87acfbcc-96
0.270
MAR-TRE-87acfbcc-6
0.268
MAR-TRE-87acfbcc-16
0.268
MAR-TRE-4f781e27-29
0.267
LON-WEI-adc59df6-28
0.267
MAR-TRE-87acfbcc-25
0.267
DAR-DIA-23aa0b97-6
0.267
NIM-UNI-bb9030bf-1
0.266
MAR-TRE-c8530538-66
0.265
ANT-DIA-045cfdc4-5
0.265
MAR-TRE-fd17a9b8-62
0.265
SAD-SAT-24589cd1-4
0.265
MAR-TRE-c8530538-64
0.264
MAR-TRE-87acfbcc-2
0.264
MAR-TRE-87acfbcc-53
0.263
MAR-TRE-87acfbcc-83
0.263
ALP-POS-88a7a97e-4
0.263
MAR-TRE-87acfbcc-9
0.260
MAR-TRE-87acfbcc-67
0.260
MAR-TRE-87acfbcc-87
0.260
MAK-UNK-2c1752f0-3
0.260
MAR-TRE-87acfbcc-5
0.260
MAR-TRE-87acfbcc-29
0.259
MAR-TRE-fd17a9b8-92
0.258
MAK-UNK-ca11b4f7-1
0.258
MIC-UNK-5ce21166-1
0.257
MAR-TRE-87acfbcc-63
0.257