Molecular Properties | |
SMILES: | CCNc1ccc(F)cc1CN1CCN(C(C)=O)CC1 |
MW: | 279.359 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 35.58 |
cLogP: | 1.9216 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
KIM-UNI-7d12df64-1
0.645
JAN-GHE-fd8d85a5-9
0.621
KIM-UNI-7d12df64-2
0.615
KIM-UNI-7d12df64-3
0.478
DAR-DIA-fb20be43-3
0.467
SEL-UNI-cd366922-6
0.431
JAN-GHE-fd8d85a5-8
0.427
JAN-GHE-fd8d85a5-1
0.425
BEN-VAN-d8fd1356-21
0.419
CAM-STU-3ef21e73-1
0.394
BEN-VAN-d8fd1356-24
0.390
DAR-DIA-fb20be43-1
0.380
JAN-GHE-fd8d85a5-3
0.372
BEN-VAN-d8fd1356-20
0.367
TAM-UNI-d1c3dd9f-18
0.362
JAN-GHE-fd8d85a5-6
0.354
BEN-VAN-c986b20b-13
0.353
WIL-LEE-23e8b574-2
0.352
MAK-UNK-6435e6c2-3
0.348
PAT-UNK-b2d83456-1
0.347
MAK-UNK-6435e6c2-2
0.343
ISA-SCH-8e98219b-2
0.342
PAT-UNK-b2d83456-2
0.338
JAN-GHE-fd8d85a5-7
0.338
WIL-LEE-23e8b574-4
0.333
KIM-UNI-2ee5d8f9-1
0.333
PAT-UNK-b2d83456-4
0.329
JAN-GHE-1d98ec1c-1
0.329
PAT-UNK-b2d83456-3
0.329
JAN-GHE-fd8d85a5-2
0.326
WIL-LEE-23e8b574-3
0.325
HEI-REL-0c990a45-4
0.321
SAD-SAT-f0a2747f-8
0.319
DAV-CRI-d1e0885a-2
0.318
BEN-VAN-c986b20b-4
0.318
PAU-UNI-52c0427f-1
0.317
DAR-DIA-fb20be43-4
0.317
BRU-LEF-ae0885ba-1
0.317
BEN-VAN-d8fd1356-22
0.317
JAN-GHE-fd8d85a5-12
0.315
DAR-DIA-fb20be43-12
0.314
BEN-VAN-c986b20b-2
0.313
BEN-VAN-c986b20b-10
0.313
BEN-VAN-c986b20b-16
0.313
JON-UIO-066ce08b-10
0.313
BEN-VAN-c986b20b-17
0.313
BEN-DND-6de5dfa0-21
0.312
JON-UIO-066ce08b-11
0.312
DAR-DIA-fb20be43-5
0.310
BEN-VAN-c986b20b-15
0.310
DAR-DIA-fb20be43-2
0.309
JOH-IMS-0780e8d1-1
0.309
MAK-UNK-af83ef51-27
0.309
DAR-DIA-fb20be43-10
0.308
JAN-GHE-1d98ec1c-2
0.308
JAN-GHE-1d98ec1c-4
0.305
NIM-UNI-02269248-3
0.302
JAN-GHE-1d98ec1c-5
0.301
JOO-PER-d7ab4f65-1
0.301
PAT-UNK-b2d83456-5
0.300
JOH-MSK-d60b0211-1
0.300
JAN-GHE-1d98ec1c-8
0.300
MAK-UNK-7c9d1431-20
0.297
BEN-DND-6de5dfa0-20
0.296
JON-UIO-066ce08b-16
0.296
ANT-OPE-d972fbad-1
0.296
BEN-DND-93268d01-8
0.295
SAD-SAT-5b1897b2-5
0.295
EDJ-MED-3c65e9ce-1
0.295
JON-UIO-066ce08b-9
0.295
MED-COV-4280ac29-24
0.294
NAU-LAT-f723e322-1
0.293
DAR-DIA-fb20be43-11
0.293
JOK-SYG-302da050-1
0.293
STU-CHA-bc0a9883-1
0.293
DRR-IMP-38dce17f-2
0.293
AHN-SAT-02ef6d10-10
0.293
JAN-GHE-1d98ec1c-7
0.293
LON-WEI-b8d98729-4
0.293
CHR-UNK-b46452fc-1
0.292
CHR-UNK-e061132b-1
0.292
MAK-UNK-6435e6c2-5
0.292
MAK-UNK-af83ef51-22
0.292
BEN-DND-6de5dfa0-19
0.291
VIC-UNI-33d4332f-2
0.291
NAU-LAT-f723e322-2
0.290
JAN-GHE-1d98ec1c-3
0.289
BEN-VAN-c986b20b-6
0.289
VIC-UNI-33d4332f-1
0.289
MAK-UNK-10dfa458-19
0.289
BEN-VAN-c986b20b-5
0.287
STE-UNK-13e151dd-1
0.286
JOH-UNI-c7afdb96-10
0.286
ALE-MCD-a1893bfb-1
0.286
MAK-UNK-10dfa458-13
0.286
JUL-TUD-06b2044f-72
0.284
DAR-DIA-fb20be43-9
0.284
MIH-UNI-6b9ca91a-9
0.284
ANU-UNK-2781581f-2
0.284
JOH-UNK-14e6adc5-7
0.284