Molecular Properties | |
SMILES: | O=C(O)CN(C(=O)CCc1ccco1)c1cnc(CCl)[nH]1 |
MW: | 311.07 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 99.43 |
cLogP: | 1.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Long aliphatic chain
Alkyl Halide
MAR-TRE-87acfbcc-1
0.757
MAR-TRE-87acfbcc-6
0.522
MAR-TRE-87acfbcc-69
0.478
MAR-TRE-87acfbcc-27
0.413
MAR-TRE-87acfbcc-26
0.403
MAR-TRE-87acfbcc-92
0.389
MAR-TRE-87acfbcc-39
0.385
MAR-TRE-87acfbcc-82
0.377
MAR-TRE-aca67d11-33
0.346
MAR-TRE-87acfbcc-77
0.333
MAR-TRE-87acfbcc-31
0.330
MAR-TRE-87acfbcc-74
0.329
MAR-TRE-87acfbcc-38
0.320
MAR-TRE-87acfbcc-35
0.317
MAR-TRE-87acfbcc-50
0.316
MAR-TRE-87acfbcc-79
0.315
MAR-TRE-87acfbcc-47
0.308
MAR-TRE-87acfbcc-36
0.307
MAR-TRE-87acfbcc-52
0.305
MAR-TRE-87acfbcc-24
0.305
MAR-TRE-87acfbcc-68
0.304
MAR-TRE-87acfbcc-46
0.300
MAR-TRE-be9ff7d2-68
0.299
MAR-TRE-87acfbcc-13
0.299
MAR-TRE-36bf7dba-82
0.298
MAR-TRE-87acfbcc-19
0.298
MAR-TRE-87acfbcc-95
0.298
MAR-TRE-87acfbcc-15
0.295
MAR-TRE-87acfbcc-7
0.295
MAR-TRE-87acfbcc-49
0.295
MAR-TRE-87acfbcc-25
0.294
MAR-TRE-87acfbcc-12
0.293
MAR-TRE-87acfbcc-28
0.293
MAR-TRE-87acfbcc-71
0.291
MAR-TRE-87acfbcc-62
0.291
MAR-TRE-87acfbcc-41
0.289
MAR-TRE-87acfbcc-67
0.289
MAR-TRE-87acfbcc-96
0.282
MAR-TRE-87acfbcc-91
0.282
MAR-TRE-87acfbcc-16
0.280
MAR-TRE-87acfbcc-66
0.280
MAR-TRE-87acfbcc-51
0.279
MAR-TRE-87acfbcc-48
0.278
MAR-TRE-87acfbcc-20
0.278
MAR-TRE-87acfbcc-23
0.278
MAR-TRE-87acfbcc-58
0.277
MAR-TRE-87acfbcc-2
0.277
MAR-TRE-87acfbcc-11
0.275
MAR-TRE-87acfbcc-9
0.274
MAR-TRE-87acfbcc-87
0.274
MAR-TRE-87acfbcc-63
0.271
MAR-TRE-87acfbcc-21
0.268
MAR-TRE-87acfbcc-30
0.266
MAR-TRE-87acfbcc-97
0.264
MAR-TRE-87acfbcc-53
0.261
MAK-UNK-7c9d1431-28
0.259
MAR-TRE-87acfbcc-22
0.259
MAR-TRE-87acfbcc-59
0.258
MAR-TRE-87acfbcc-86
0.256
MAR-TRE-87acfbcc-33
0.256
MAR-TRE-87acfbcc-100
0.256
MIC-UNK-cdc2493e-16
0.255
MAR-TRE-87acfbcc-40
0.253
MAR-TRE-799db12b-93
0.253
MAR-TRE-9c797165-10
0.250
MAR-TRE-87acfbcc-99
0.247
MAR-TRE-87acfbcc-32
0.247
MAR-TRE-87acfbcc-55
0.247
MAR-TRE-85681e92-77
0.247
MAR-TRE-87acfbcc-5
0.244
MAR-TRE-87acfbcc-72
0.244
MAR-TRE-87acfbcc-8
0.244
LON-WEI-4d77710c-39
0.242
LON-WEI-5e7d1b3e-39
0.242
MAR-TRE-799db12b-60
0.242
MAR-TRE-67513f76-87
0.242
MAR-TRE-87acfbcc-76
0.241
MAR-TRE-423310b6-65
0.241
MAR-TRE-66ac689e-33
0.240
MAR-TRE-87acfbcc-17
0.239
MAR-TRE-87acfbcc-70
0.237
MAR-TRE-87acfbcc-93
0.235
TAT-ENA-80bfd3e5-28
0.235
MAR-TRE-9c797165-8
0.234
MAR-TRE-87acfbcc-61
0.233
MAR-TRE-87acfbcc-83
0.233
MAR-TRE-87acfbcc-90
0.233
MAR-TRE-87acfbcc-54
0.233
MAR-TRE-67513f76-18
0.232
UNK-UNK-2ede4078-49
0.232
MAR-TRE-87acfbcc-37
0.232
MAR-TRE-87acfbcc-98
0.232
MAR-TRE-87acfbcc-45
0.232
MAR-TRE-87acfbcc-89
0.232
MAR-TRE-87acfbcc-29
0.232
MAR-TRE-87acfbcc-64
0.230
MAR-TRE-423310b6-70
0.230
MAR-TRE-87acfbcc-65
0.229
MIC-UNK-bcd487e9-5
0.226
MAR-TRE-87acfbcc-75
0.226