Molecular Properties | |
SMILES: | CC(C)[C@H](O)C(=O)NCCc1c[nH]c2ccc(F)cc12 |
MW: | 278.327 |
Fraction sp3: | 0.4 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 65.12 |
cLogP: | 1.9826 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2196667700 |
Enamine Extended REAL: | s_22____9631354____10210488 |
Long aliphatic chain
AAR-POS-d2a4d1df-2
AAR-POS-d2a4d1df-2
0.721
MAK-UNK-be5ffcbc-3
0.640
MAK-UNK-be5ffcbc-8
0.636
NAU-LAT-81109c57-8
0.609
MAK-UNK-be5ffcbc-1
0.553
NAU-LAT-81109c57-2
0.545
NAU-LAT-81109c57-4
0.544
MAK-UNK-be5ffcbc-7
0.532
FRA-LAB-04e32718-1
0.525
SAN-PRS-3c4a6997-4
0.522
MAR-UCB-195bc32d-16
0.486
JOH-MSK-a63bdd1d-4
0.486
MAK-UNK-37f1d6fa-2
0.483
ABI-SAT-30e287c1-2
0.471
ALE-ACE-2610ee4d-1
0.466
MAR-UCB-195bc32d-21
0.466
JOH-MSK-35a8745a-1
0.466
MAK-UNK-37f1d6fa-3
0.462
SAN-PRS-3c4a6997-1
0.458
MAK-UNK-37f1d6fa-4
0.457
MAK-UNK-10572812-3
0.455
DAR-DIA-eace69ff-36
0.455
MAK-UNK-37f1d6fa-7
0.452
MAK-UNK-10572812-17
0.449
MAK-UNK-37f1d6fa-1
0.448
MAR-TRE-85681e92-60
0.444
MAK-UNK-10572812-15
0.444
MAK-UNK-10572812-9
0.443
MAK-UNK-37f1d6fa-6
0.442
MAT-GIT-deadff56-1
0.440
MAK-UNK-10572812-16
0.440
JOH-MEM-4bb7e4cc-1
0.440
DUN-NEW-f8ce3686-12
0.440
JOH-MSK-a63bdd1d-5
0.436
MAK-UNK-10572812-8
0.426
MAK-UNK-10572812-14
0.422
MAR-TRE-4f39ef4a-26
0.407
MAK-UNK-10572812-7
0.402
MAK-UNK-10572812-6
0.402
JOH-MSK-a63bdd1d-6
0.396
MAR-TRE-92684b97-67
0.386
MAR-TRE-be9ff7d2-73
0.384
SAN-PRS-3c4a6997-2
0.384
MAR-TRE-c317dd82-56
0.379
MAK-UNK-be5ffcbc-9
0.372
JOH-MSK-a63bdd1d-1
0.367
MAK-UNK-be5ffcbc-5
0.363
MAR-UNI-9ca61fdc-1
0.354
JOK-SYG-b7365cd7-1
0.349
MAR-TRE-7f7bb9f0-83
0.347
WIL-LEE-1f71e281-6
0.345
GAB-REV-4a4e2ff3-6
0.344
MAR-TRE-3724962b-29
0.343
MAK-UNK-10572812-2
0.343
MAR-UCB-195bc32d-4
0.342
WIL-LEE-364b6ea8-13
0.341
JOH-MSK-a63bdd1d-2
0.341
NAU-LAT-81109c57-5
0.341
GAB-REV-4a4e2ff3-9
0.340
GAB-REV-4a4e2ff3-8
0.337
MAK-UNK-176ca439-5
0.337
MAK-UNK-72b7ba6b-1
0.337
SAN-PRS-3c4a6997-5
0.329
GAB-REV-4a4e2ff3-14
0.326
MAR-TRE-4f781e27-82
0.326
MAK-UNK-be5ffcbc-2
0.326
SIM-DEM-265738e1-1
0.326
ELE-IMP-dfb36048-1
0.326
PET-SGC-f818f65b-1
0.326
TAM-UNI-c140e31a-15
0.326
SAM-UNK-903735bd-2
0.326
NAU-LAT-81109c57-3
0.323
MAR-UCB-195bc32d-19
0.320
JOH-MSK-a63bdd1d-9
0.320
GAB-REV-4a4e2ff3-3
0.320
SAM-UNK-903735bd-1
0.319
ASH-UNK-40b46b30-5
0.319
MAK-UNK-10dfa458-15
0.317
MAK-UNK-be5ffcbc-6
0.315
MAR-TRE-e82e6c98-51
0.311
MAR-TRE-fd17a9b8-35
0.311
MAR-TRE-85681e92-10
0.310
MAR-TRE-fd17a9b8-41
0.310
AAR-UNI-c25c2f1e-26
0.310
ASH-UNK-40b46b30-7
0.309
SAN-PRS-3c4a6997-3
0.309
MAK-UNK-0d6072ac-1
0.309
TAM-UNI-c140e31a-2
0.309
GAB-REV-4a4e2ff3-7
0.308
MAR-TRE-85681e92-20
0.308
MAK-UNK-be5ffcbc-4
0.308
MAR-TRE-fd17a9b8-1
0.307
JOH-MSK-a63bdd1d-7
0.307
GAB-REV-4a4e2ff3-15
0.306
ROB-UNI-b2e39629-6
0.306
JAR-IMP-ed466bb3-19
0.306
NAU-LAT-81109c57-6
0.305
GAB-REV-4a4e2ff3-17
0.305
LON-WEI-af038623-6
0.304
MAK-UNK-10572812-1
0.304