Molecular Properties | |
SMILES: | O=C(O)CC(=O)NCCc1c[nH]c2ccc(F)cc12 |
MW: | 264.09 |
Fraction sp3: | 0.23 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 82.19 |
cLogP: | 1.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Long aliphatic chain
AAR-POS-d2a4d1df-2
NAU-LAT-81109c57-8
0.726
AAR-POS-d2a4d1df-2
0.712
MAK-UNK-be5ffcbc-1
0.652
NAU-LAT-81109c57-1
0.636
MAK-UNK-be5ffcbc-7
0.625
NAU-LAT-81109c57-2
0.575
FRA-LAB-04e32718-1
0.573
MAK-UNK-be5ffcbc-3
0.566
NAU-LAT-81109c57-4
0.553
SAN-PRS-3c4a6997-4
0.530
ABI-SAT-30e287c1-2
0.523
MAK-UNK-37f1d6fa-2
0.506
DAR-DIA-eace69ff-36
0.484
MAK-UNK-37f1d6fa-3
0.483
MAK-UNK-37f1d6fa-6
0.478
MAK-UNK-10572812-8
0.474
MAK-UNK-37f1d6fa-7
0.472
MAK-UNK-37f1d6fa-4
0.462
MAK-UNK-37f1d6fa-1
0.452
MAR-UCB-195bc32d-16
0.449
JOH-MSK-a63bdd1d-4
0.449
MAK-UNK-10572812-9
0.447
SAN-PRS-3c4a6997-1
0.443
MAK-UNK-10572812-14
0.439
MAK-UNK-10572812-17
0.438
MAK-UNK-10572812-15
0.433
MAR-UCB-195bc32d-21
0.431
JOH-MSK-35a8745a-1
0.431
ALE-ACE-2610ee4d-1
0.431
MAK-UNK-10572812-16
0.429
JOH-MEM-4bb7e4cc-1
0.425
DUN-NEW-f8ce3686-12
0.425
MAT-GIT-deadff56-1
0.425
MAK-UNK-10572812-6
0.417
MAK-UNK-10572812-3
0.416
MAR-TRE-85681e92-60
0.412
MAR-TRE-92684b97-67
0.405
MAK-UNK-10572812-7
0.404
JOH-MSK-a63bdd1d-5
0.403
MAK-UNK-72b7ba6b-1
0.394
MAK-UNK-176ca439-5
0.394
MAR-TRE-4f39ef4a-26
0.393
MAR-TRE-7f7bb9f0-83
0.378
MAK-UNK-10dfa458-15
0.371
MAR-TRE-be9ff7d2-73
0.369
JOH-MSK-a63bdd1d-6
0.367
SAN-PRS-3c4a6997-2
0.366
MAR-TRE-fd17a9b8-41
0.366
MAR-TRE-c317dd82-56
0.365
MAR-TRE-fd17a9b8-1
0.362
MAK-UNK-be5ffcbc-9
0.355
JOH-MSK-a63bdd1d-1
0.351
MAR-TRE-fd17a9b8-18
0.344
MAR-UNI-9ca61fdc-1
0.338
MAR-TRE-fd17a9b8-10
0.337
MAR-TRE-3724962b-29
0.330
SAN-PRS-3c4a6997-5
0.329
MAR-TRE-e82e6c98-51
0.326
MAR-TRE-4f781e27-82
0.326
GAB-REV-4a4e2ff3-3
0.319
MAK-UNK-be5ffcbc-5
0.319
ABI-SAT-30e287c1-1
0.318
JOK-SYG-b7365cd7-1
0.318
GAB-REV-4a4e2ff3-6
0.315
WIL-LEE-1f71e281-6
0.313
NAU-LAT-81109c57-5
0.311
GAB-REV-4a4e2ff3-14
0.310
MAR-TRE-fd17a9b8-35
0.310
ELE-IMP-dfb36048-1
0.310
TAM-UNI-c140e31a-15
0.310
MAR-TRE-85681e92-10
0.310
JOH-MSK-a63bdd1d-2
0.310
SAM-UNK-903735bd-2
0.310
WIL-LEE-364b6ea8-13
0.310
PET-SGC-f818f65b-1
0.310
SIM-DEM-265738e1-1
0.310
SAN-PRS-3c4a6997-3
0.308
TAM-UNI-c140e31a-2
0.308
NAU-LAT-81109c57-3
0.308
GAB-REV-4a4e2ff3-8
0.308
MAR-UCB-195bc32d-4
0.307
MAK-UNK-10572812-2
0.306
JAR-IMP-ed466bb3-19
0.305
MAR-TRE-04c86cea-51
0.304
MAK-UNK-176ca439-7
0.304
SAM-UNK-903735bd-1
0.303
ASH-UNK-40b46b30-5
0.303
MAR-UCB-195bc32d-19
0.301
JOH-MSK-a63bdd1d-9
0.301
LON-WEI-b8d98729-34
0.300
TOM-OIS-cbf37265-2
0.300
ANT-OPE-47f3bb65-1
0.300
AAR-UNI-c25c2f1e-73
0.300
PET-SGC-1c3a473d-1
0.299
MAK-UNK-be5ffcbc-6
0.299
MAR-TRE-85681e92-12
0.299
MAK-UNK-be5ffcbc-2
0.295
SCO-VAN-260d9628-5
0.295
MAK-UNK-ec98eaf6-34
0.293
MAK-UNK-be5ffcbc-4
0.292