Molecular Properties | |
SMILES: | CCC(=O)N1CCN(Cc2cc(F)cc3c(CC)c[nH]c23)CC1 |
MW: | 317.408 |
Fraction sp3: | 0.5 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 39.34 |
cLogP: | 2.9236 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-VAN-d8fd1356-21
0.790
JOK-SYG-302da050-2
0.605
DAR-DIA-fb20be43-11
0.582
STU-CHA-bc0a9883-1
0.582
JOK-SYG-302da050-1
0.582
NAU-LAT-f723e322-1
0.582
BEN-VAN-d8fd1356-23
0.539
NAU-LAT-f723e322-2
0.518
BEN-VAN-d8fd1356-24
0.507
MAK-UNK-be5ffcbc-2
0.487
MAK-UNK-be5ffcbc-4
0.463
SAM-UNK-903735bd-1
0.458
SCO-VAN-260d9628-6
0.452
JOK-SYG-b9f02a42-1
0.422
DAR-DIA-fb20be43-15
0.420
JOK-SYG-b9f02a42-2
0.413
BEN-VAN-d8fd1356-20
0.407
DAR-DIA-fb20be43-14
0.407
BEN-VAN-d8fd1356-25
0.398
JOK-SYG-b9f02a42-3
0.394
JON-UIO-066ce08b-11
0.390
JOH-MSK-d60b0211-1
0.382
PAT-UNK-b2d83456-5
0.382
NIR-THE-0d6461ce-2
0.380
DUN-NEW-f8ce3686-24
0.374
JON-UIO-066ce08b-10
0.369
SAM-UNK-83e03154-1
0.363
MAK-UNK-212f693e-7
0.361
JAN-GHE-6413aaf8-9
0.356
DAR-DIA-fb20be43-1
0.353
PAT-UNK-b2d83456-4
0.352
DAR-DIA-fb20be43-2
0.333
JAN-GHE-6413aaf8-5
0.330
JAN-GHE-6413aaf8-7
0.326
MAK-UNK-176ca439-5
0.320
MAK-UNK-72b7ba6b-1
0.320
NIR-THE-0d6461ce-3
0.320
BEN-VAN-d8fd1356-27
0.319
JAN-GHE-fd8d85a5-10
0.317
MAK-UNK-ec98eaf6-33
0.316
NAU-LAT-81109c57-6
0.316
SCO-VAN-260d9628-7
0.311
WIL-LEE-1f71e281-6
0.310
DAR-DIA-fb20be43-4
0.310
PAU-UNI-52c0427f-1
0.310
BRU-LEF-ae0885ba-1
0.310
DAR-DIA-fb20be43-12
0.308
BEN-VAN-d8fd1356-14
0.308
ELE-IMP-dfb36048-1
0.307
TAM-UNI-c140e31a-15
0.307
SAM-UNK-903735bd-2
0.307
SIM-DEM-265738e1-1
0.307
PET-SGC-f818f65b-1
0.307
ORN-MSD-5b974918-1
0.306
SAD-SAT-65574d3f-10
0.305
JAN-GHE-6413aaf8-1
0.304
ASH-UNK-40b46b30-5
0.301
JAN-GHE-6413aaf8-8
0.301
SAD-SAT-bc31ec01-1
0.299
BEN-VAN-d8fd1356-15
0.297
JOO-PER-d7ab4f65-1
0.296
JOH-UNI-27ac80fd-24
0.295
JAN-GHE-fd8d85a5-1
0.294
SCO-VAN-260d9628-8
0.293
MAK-UNK-7c9d1431-20
0.291
SAD-SAT-581007d4-1
0.291
BEN-DND-03406596-7
0.291
BEN-DND-6de5dfa0-1
0.291
BEN-DND-09b88bf4-2
0.291
SAD-SAT-5b1897b2-5
0.289
DAR-DIA-fb20be43-5
0.289
JON-UIO-066ce08b-15
0.289
DAR-DIA-fb20be43-10
0.289
NEH-REV-107bcf72-5
0.287
DRR-IMP-38dce17f-2
0.287
DRR-IMP-38dce17f-8
0.287
AAR-POS-d2a4d1df-40
0.286
MED-COV-4280ac29-31
0.286
TAT-ENA-80bfd3e5-20
0.286
AAR-POS-d2a4d1df-41
0.286
MAK-UNK-be5ffcbc-9
0.286
JAN-GHE-fd8d85a5-6
0.286
TAM-UNI-c140e31a-20
0.284
DAV-CRI-d1e0885a-2
0.283
MAT-POS-2db6411e-1
0.283
MAK-UNK-be5ffcbc-6
0.283
SEL-UNI-cd366922-6
0.282
AAR-POS-0daf6b7e-2
0.282
JAN-GHE-6413aaf8-6
0.280
DAR-DIA-fb20be43-9
0.280
AAR-POS-0daf6b7e-12
0.278
JOH-UNI-27ac80fd-23
0.278
TAM-UNI-c140e31a-2
0.278
GAB-REV-4a4e2ff3-8
0.278
MAK-UNK-176ca439-7
0.278
JUL-TUD-06b2044f-30
0.278
MAK-UNK-10dfa458-15
0.278
TAM-UNI-d1c3dd9f-17
0.278
MAK-UNK-10572812-12
0.277
MAR-TRE-6a44bbf2-3
0.276