Molecular Properties | |
SMILES: | COC(=O)CN(C(=O)CCc1ccco1)c1cnc(CCl)[nH]1 |
MW: | 325.08 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.43 |
cLogP: | 1.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-87acfbcc-3
0.757
MAR-TRE-87acfbcc-27
0.480
MAR-TRE-87acfbcc-6
0.429
MAR-TRE-87acfbcc-82
0.423
MAR-TRE-87acfbcc-68
0.403
MAR-TRE-87acfbcc-24
0.400
MAR-TRE-87acfbcc-69
0.387
MAR-TRE-87acfbcc-92
0.382
MAR-TRE-87acfbcc-12
0.360
MAR-TRE-87acfbcc-67
0.349
MAR-TRE-87acfbcc-13
0.346
MAR-TRE-87acfbcc-31
0.341
MAR-TRE-87acfbcc-86
0.338
MAR-TRE-36bf7dba-82
0.337
MAR-TRE-87acfbcc-95
0.326
MAR-TRE-87acfbcc-32
0.321
MAR-TRE-87acfbcc-47
0.321
MAR-TRE-87acfbcc-26
0.320
MAR-TRE-87acfbcc-35
0.314
MAR-TRE-87acfbcc-39
0.314
MAR-TRE-87acfbcc-79
0.312
MAR-TRE-be9ff7d2-68
0.311
MAR-TRE-aca67d11-33
0.310
MAR-TRE-87acfbcc-7
0.309
MAR-TRE-87acfbcc-48
0.309
MAR-TRE-87acfbcc-25
0.307
MAR-TRE-87acfbcc-11
0.305
MAR-TRE-87acfbcc-36
0.304
MAR-TRE-87acfbcc-38
0.300
MAR-TRE-87acfbcc-50
0.298
MAR-TRE-87acfbcc-15
0.293
MAR-TRE-87acfbcc-97
0.292
MAR-TRE-87acfbcc-28
0.291
MAR-TRE-87acfbcc-41
0.287
MAR-TRE-87acfbcc-87
0.287
MAR-TRE-87acfbcc-77
0.286
MAR-TRE-87acfbcc-65
0.281
MAR-TRE-87acfbcc-74
0.281
MAR-TRE-87acfbcc-16
0.279
MAR-TRE-fd17a9b8-46
0.278
MAR-TRE-87acfbcc-20
0.277
MAR-TRE-9c797165-10
0.277
MAR-TRE-87acfbcc-99
0.275
MAR-TRE-87acfbcc-71
0.274
MAR-TRE-87acfbcc-9
0.273
MAR-TRE-87acfbcc-52
0.273
MAR-TRE-87acfbcc-33
0.271
MAR-TRE-87acfbcc-21
0.267
MAR-TRE-87acfbcc-46
0.267
MAR-TRE-87acfbcc-19
0.267
MAR-TRE-87acfbcc-96
0.267
MAR-TRE-87acfbcc-91
0.265
MAR-TRE-87acfbcc-30
0.265
MAR-TRE-87acfbcc-66
0.264
MAR-TRE-87acfbcc-51
0.264
MAR-TRE-87acfbcc-94
0.264
MAR-TRE-87acfbcc-23
0.263
MAR-TRE-87acfbcc-55
0.262
MAR-TRE-87acfbcc-49
0.262
MAR-TRE-87acfbcc-8
0.259
MAR-TRE-87acfbcc-62
0.259
MAR-TRE-87acfbcc-72
0.258
MAR-TRE-87acfbcc-22
0.258
MAR-TRE-87acfbcc-59
0.258
MAR-TRE-423310b6-65
0.256
LON-WEI-5e7d1b3e-39
0.255
LON-WEI-4d77710c-39
0.255
MIC-UNK-cdc2493e-16
0.255
MAR-TRE-87acfbcc-40
0.253
MAR-TRE-799db12b-93
0.253
JAN-GHE-76def03c-3
0.250
MAR-TRE-87acfbcc-81
0.250
ALP-POS-02c6a514-28
0.250
ALP-POS-b0bc6a46-17
0.250
TAT-ENA-80bfd3e5-28
0.248
MAR-TRE-92684b97-82
0.247
MAR-TRE-fd17a9b8-82
0.247
MAR-TRE-67513f76-100
0.247
MAR-TRE-87acfbcc-83
0.247
MAR-TRE-87acfbcc-53
0.247
MAR-TRE-87acfbcc-58
0.247
MAR-TRE-87acfbcc-2
0.247
JAN-GHE-76def03c-1
0.246
ALP-POS-02c6a514-57
0.245
MAR-TRE-67513f76-18
0.245
MAR-TRE-87acfbcc-29
0.245
MAR-TRE-87acfbcc-5
0.245
MAR-TRE-87acfbcc-64
0.244
MAK-UNK-7c9d1431-28
0.244
RYA-UNI-f4a878f6-1
0.243
MAR-TRE-799db12b-60
0.242
MAR-TRE-92684b97-54
0.242
MAR-TRE-67513f76-87
0.242
MAR-TRE-87acfbcc-63
0.242
MAR-TRE-423310b6-64
0.242
MAR-TRE-87acfbcc-100
0.241
MAR-TRE-a78003aa-33
0.241
MAR-TRE-87acfbcc-76
0.241
MAR-TRE-85681e92-55
0.241
MAR-TRE-fd17a9b8-60
0.240