Molecular Properties | |
SMILES: | CC(=O)OCCc1c[nH]c2ccc(F)cc12 |
MW: | 221.231 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 42.09 |
cLogP: | 2.4126 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
aliphatic ester, not lactones
Ester
AAR-POS-d2a4d1df-2
AAR-POS-d2a4d1df-2
0.607
MAK-UNK-be5ffcbc-8
0.530
NAU-LAT-81109c57-8
0.529
ABI-SAT-30e287c1-2
0.524
NAU-LAT-81109c57-1
0.522
DAR-DIA-eace69ff-36
0.483
MAK-UNK-be5ffcbc-1
0.461
FRA-LAB-04e32718-1
0.456
NAU-LAT-81109c57-4
0.456
NAU-LAT-81109c57-2
0.455
MAK-UNK-be5ffcbc-3
0.450
MAK-UNK-be5ffcbc-7
0.443
MAR-TRE-85681e92-60
0.429
MAK-UNK-37f1d6fa-2
0.419
MAR-TRE-4f39ef4a-26
0.407
MAR-TRE-7f7bb9f0-83
0.407
MAK-UNK-37f1d6fa-3
0.385
MAR-TRE-3724962b-29
0.385
MAK-UNK-37f1d6fa-4
0.383
MAK-UNK-37f1d6fa-7
0.376
MAK-UNK-37f1d6fa-1
0.375
MAK-UNK-10572812-9
0.371
JOH-MSK-35a8745a-1
0.370
MAR-UCB-195bc32d-21
0.370
ALE-ACE-2610ee4d-1
0.370
MAK-UNK-37f1d6fa-6
0.368
MAK-UNK-10572812-14
0.366
MAR-UCB-195bc32d-16
0.366
JOH-MSK-a63bdd1d-4
0.366
MAK-UNK-10572812-17
0.364
JOH-MSK-a63bdd1d-5
0.364
SAN-PRS-3c4a6997-1
0.361
MAK-UNK-10572812-15
0.360
MAK-UNK-10572812-3
0.359
JOH-MSK-a63bdd1d-7
0.358
MAR-TRE-85681e92-12
0.358
MAK-UNK-10572812-8
0.356
MAK-UNK-10572812-16
0.356
MAR-TRE-85681e92-10
0.354
MAK-UNK-10572812-7
0.349
MAK-UNK-10572812-6
0.349
DUN-NEW-f8ce3686-12
0.347
JOH-MEM-4bb7e4cc-1
0.347
MAT-GIT-deadff56-1
0.347
MAK-UNK-10572812-2
0.340
JOH-MSK-a63bdd1d-6
0.333
MAR-UCB-195bc32d-19
0.333
ABI-SAT-30e287c1-1
0.333
JOH-MSK-a63bdd1d-9
0.333
ANT-OPE-47f3bb65-4
0.329
MAK-UNK-10dfa458-15
0.327
SCO-VAN-260d9628-5
0.324
SAN-PRS-3c4a6997-5
0.324
MAR-UCB-195bc32d-23
0.324
MAK-UNK-72b7ba6b-1
0.320
MAK-UNK-176ca439-5
0.320
MAR-UCB-195bc32d-4
0.319
MAR-UNI-9ca61fdc-1
0.316
ANT-OPE-47f3bb65-2
0.316
TOM-OIS-cbf37265-2
0.312
LON-WEI-b8d98729-34
0.312
ANT-OPE-47f3bb65-1
0.312
NAU-LAT-81109c57-5
0.307
ANT-OPE-47f3bb65-5
0.307
SAN-PRS-3c4a6997-2
0.306
DAR-DIA-eace69ff-35
0.304
MAR-TRE-be9ff7d2-73
0.302
MAK-UNK-10572812-4
0.302
MAR-TRE-92684b97-67
0.301
AMI-SHA-0ab64bbd-1
0.300
AMI-SHA-be6e1b75-1
0.300
MAR-TRE-c317dd82-56
0.299
MAK-UNK-be5ffcbc-9
0.299
MAR-TRE-d3c2bf0e-32
0.296
ANT-OPE-47f3bb65-3
0.295
JOH-MSK-a63bdd1d-1
0.295
JOH-MEM-5e386bbd-7
0.294
LON-WEI-4d77710c-14
0.289
MAT-POS-b5746674-78
0.289
LON-WEI-5e7d1b3e-14
0.289
BEN-VAN-d8fd1356-27
0.287
MAR-TRE-04c86cea-51
0.286
MAK-UNK-0d6072ac-1
0.286
GAB-REV-4a4e2ff3-6
0.281
MAR-TRE-85681e92-64
0.279
MAR-TRE-85681e92-38
0.279
MAR-TRE-799db12b-12
0.278
MAR-TRE-4f781e27-26
0.278
MAK-UNK-10572812-1
0.275
GAB-REV-4a4e2ff3-8
0.275
WIL-LEE-364b6ea8-13
0.274
JOH-MSK-a63bdd1d-2
0.274
MAR-TRE-4f39ef4a-51
0.273
MAR-TRE-4f39ef4a-50
0.273
MAR-TRE-85681e92-20
0.273
DAR-DIA-eace69ff-37
0.271
GAB-REV-4a4e2ff3-2
0.270
MAK-UNK-176ca439-6
0.269
MAK-UNK-69e28b36-1
0.269
DEN-EUR-293438d2-1
0.268