Molecular Properties | |
SMILES: | CCCCOC(=O)C1CCC(=O)N1c1cnc(CCl)[nH]1 |
MW: | 299.1 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 75.29 |
cLogP: | 1.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Carboxylic acid esters
Filter6_benzyl_halide
aliphatic ester, not lactones
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-87acfbcc-57
0.473
MAR-TRE-85681e92-58
0.354
MAR-TRE-87acfbcc-18
0.340
MAR-TRE-87acfbcc-85
0.317
MAR-TRE-87acfbcc-42
0.302
MAR-TRE-87acfbcc-60
0.291
MAR-TRE-87acfbcc-80
0.289
MAR-TRE-87acfbcc-13
0.287
MAR-TRE-87acfbcc-78
0.281
MAR-TRE-87acfbcc-56
0.280
MAR-TRE-87acfbcc-21
0.274
MAR-TRE-87acfbcc-75
0.272
MAR-TRE-87acfbcc-43
0.271
MAR-TRE-87acfbcc-97
0.270
MAR-TRE-87acfbcc-27
0.267
MAR-TRE-87acfbcc-82
0.267
MAR-TRE-87acfbcc-12
0.266
MAR-TRE-87acfbcc-22
0.264
MAR-TRE-87acfbcc-88
0.259
MAR-TRE-87acfbcc-92
0.256
MAR-TRE-87acfbcc-23
0.255
MAR-TRE-87acfbcc-20
0.253
MAR-TRE-87acfbcc-48
0.253
MAR-TRE-87acfbcc-47
0.250
MAR-TRE-74c6519b-29
0.248
MAR-TRE-87acfbcc-68
0.247
MAR-TRE-87acfbcc-41
0.247
MAR-TRE-87acfbcc-86
0.247
MAT-POS-ea426761-32
0.245
MAR-TRE-87acfbcc-40
0.245
MAR-TRE-87acfbcc-69
0.244
MAR-TRE-87acfbcc-26
0.244
MAR-TRE-87acfbcc-61
0.239
MAR-TRE-87acfbcc-99
0.239
MAR-TRE-87acfbcc-32
0.239
MAR-TRE-87acfbcc-55
0.238
MAR-TRE-87acfbcc-79
0.237
MAR-TRE-87acfbcc-67
0.236
MAR-TRE-87acfbcc-11
0.235
MAR-TRE-87acfbcc-65
0.235
MAR-TRE-87acfbcc-100
0.233
MAK-UNK-af83ef51-7
0.232
MAR-TRE-87acfbcc-36
0.232
MAR-TRE-87acfbcc-95
0.231
MAR-TRE-87acfbcc-38
0.229
MAR-TRE-423310b6-23
0.227
MAR-TRE-87acfbcc-16
0.227
MAR-TRE-36bf7dba-95
0.226
MAR-TRE-87acfbcc-58
0.225
MAR-TRE-87acfbcc-31
0.224
MAR-TRE-87acfbcc-29
0.224
MAR-TRE-87acfbcc-15
0.224
MAR-TRE-87acfbcc-49
0.224
MAR-TRE-87acfbcc-4
0.224
MAR-TRE-87acfbcc-37
0.224
MAR-TRE-87acfbcc-7
0.224
MAR-TRE-87acfbcc-5
0.223
MAR-TRE-87acfbcc-59
0.223
MAR-TRE-87acfbcc-9
0.222
MAR-TRE-87acfbcc-24
0.222
MAR-TRE-87acfbcc-87
0.222
MAR-TRE-87acfbcc-8
0.221
MAR-TRE-87acfbcc-62
0.221
MAR-TRE-87acfbcc-46
0.216
MAR-TRE-aca67d11-44
0.215
MAR-TRE-87acfbcc-70
0.214
MAR-TRE-3e4e6814-96
0.214
MAR-TRE-87acfbcc-6
0.213
MAR-TRE-87acfbcc-53
0.213
MAR-TRE-87acfbcc-91
0.212
MAR-TRE-87acfbcc-2
0.211
MAR-TRE-87acfbcc-28
0.211
MAT-POS-b5746674-135
0.211
MAR-TRE-87acfbcc-89
0.209
MAR-TRE-423310b6-22
0.207
MAR-TRE-87acfbcc-63
0.207
MAR-TRE-36bf7dba-67
0.207
MAR-TRE-87acfbcc-35
0.207
MAR-TRE-87acfbcc-39
0.207
MAR-TRE-74c6519b-50
0.206
MAR-TRE-f6f5f473-14
0.205
MAR-TRE-87acfbcc-33
0.205
MAR-TRE-87acfbcc-74
0.204
MAR-TRE-87acfbcc-19
0.204
MAR-TRE-423310b6-27
0.204
MAR-TRE-87acfbcc-34
0.204
MAR-TRE-87acfbcc-50
0.202
MAR-TRE-423310b6-88
0.202
MAR-TRE-aca67d11-54
0.202
MAR-TRE-423310b6-21
0.202
MAR-TRE-87acfbcc-51
0.202
MAR-TRE-87acfbcc-25
0.202
MAR-TRE-87acfbcc-94
0.202
MAT-POS-b5746674-93
0.200
MAR-TRE-a78003aa-13
0.200
MAK-UNK-10dfa458-42
0.198
MAK-UNK-af83ef51-9
0.198
MAR-TRE-87acfbcc-77
0.198
MAR-TRE-423310b6-77
0.198
MAR-TRE-87acfbcc-14
0.198