Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2cc(F)cc3c(C(F)(F)F)c[nH]c23)CC1 |
MW: | 343.324 |
Fraction sp3: | 0.44 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 39.34 |
cLogP: | 2.9899 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
BEN-VAN-d8fd1356-21
0.642
BEN-VAN-d8fd1356-22
0.507
STU-CHA-bc0a9883-1
0.459
JOK-SYG-302da050-1
0.459
NAU-LAT-f723e322-1
0.459
DAR-DIA-fb20be43-11
0.459
NAU-LAT-f723e322-2
0.453
BEN-VAN-d8fd1356-20
0.449
JOK-SYG-302da050-2
0.440
MAK-UNK-be5ffcbc-2
0.405
JOH-MSK-d60b0211-1
0.402
PAT-UNK-b2d83456-5
0.402
MAK-UNK-be5ffcbc-4
0.400
SAM-UNK-903735bd-1
0.395
SCO-VAN-260d9628-6
0.391
JAN-GHE-fd8d85a5-10
0.390
SAM-UNK-83e03154-1
0.382
PAT-UNK-b2d83456-4
0.372
BEN-VAN-d8fd1356-23
0.349
DAR-DIA-fb20be43-14
0.337
KIM-UNI-7d12df64-3
0.333
DAR-DIA-fb20be43-15
0.333
JAN-GHE-fd8d85a5-1
0.329
BEN-DND-6de5dfa0-20
0.325
MAK-UNK-6435e6c2-3
0.324
JOK-SYG-b9f02a42-1
0.323
BEN-VAN-d8fd1356-25
0.322
KIM-UNI-7d12df64-1
0.321
MAK-UNK-6435e6c2-2
0.319
JAN-GHE-fd8d85a5-9
0.318
JAN-GHE-1d98ec1c-4
0.318
JOK-SYG-b9f02a42-2
0.316
JAN-GHE-1d98ec1c-8
0.313
JOK-SYG-b9f02a42-3
0.313
NIR-THE-0d6461ce-2
0.312
KIM-UNI-2ee5d8f9-1
0.311
KIM-UNI-7d12df64-2
0.310
PAT-UNK-b2d83456-1
0.308
BEN-VAN-d8fd1356-27
0.308
JAN-GHE-6413aaf8-5
0.305
DUN-NEW-f8ce3686-24
0.305
BEN-VAN-c986b20b-13
0.304
JAN-GHE-fd8d85a5-3
0.302
JAN-GHE-fd8d85a5-8
0.302
PAT-UNK-b2d83456-2
0.300
JUL-TUD-06b2044f-119
0.300
JAN-GHE-6413aaf8-9
0.300
BEN-VAN-d8fd1356-19
0.299
JUL-TUD-06b2044f-29
0.299
JUL-TUD-06b2044f-30
0.295
JUL-TUD-06b2044f-136
0.295
JAN-GHE-fd8d85a5-2
0.293
BEN-VAN-c986b20b-15
0.292
DAR-DIA-fb20be43-2
0.291
JAN-GHE-1d98ec1c-2
0.289
WIL-LEE-23e8b574-3
0.289
HEI-REL-0c990a45-4
0.289
JAN-GHE-fd8d85a5-6
0.289
JAN-GHE-6413aaf8-7
0.289
ISA-SCH-8e98219b-2
0.287
JAN-GHE-1d98ec1c-3
0.287
JAN-GHE-fd8d85a5-12
0.284
JUL-TUD-06b2044f-72
0.283
ALP-POS-3fc1724e-3
0.281
BEN-VAN-c986b20b-16
0.281
JON-UIO-066ce08b-10
0.281
DAR-DIA-fb20be43-1
0.281
HEI-REL-0c990a45-2
0.281
BEN-VAN-c986b20b-2
0.281
BEN-VAN-c986b20b-17
0.281
WIL-LEE-23e8b574-2
0.278
WIL-LEE-23e8b574-4
0.278
NAU-LAT-81109c57-6
0.278
SAD-SAT-f0a2747f-8
0.277
PAT-UNK-b2d83456-3
0.277
JUL-TUD-06b2044f-73
0.276
JOO-IND-6372a4f3-5
0.276
BEN-VAN-c986b20b-6
0.274
ALP-POS-3fc1724e-4
0.274
TAM-UNI-d1c3dd9f-13
0.272
BEN-VAN-c986b20b-4
0.272
NIM-UNI-02269248-3
0.272
JUL-TUD-06b2044f-126
0.272
NIR-THE-0d6461ce-3
0.270
WIL-LEE-1f71e281-6
0.270
JAN-GHE-6413aaf8-1
0.269
SAD-SAT-bc31ec01-1
0.269
SCO-VAN-260d9628-8
0.269
DAR-DIA-fb20be43-12
0.269
JOH-UNK-14e6adc5-7
0.267
JAN-GHE-6413aaf8-8
0.267
ALE-MCD-a1893bfb-1
0.267
SIM-DEM-265738e1-1
0.267
TAM-UNI-c140e31a-15
0.267
JOH-UNK-14e6adc5-8
0.267
PET-SGC-f818f65b-1
0.267
SAM-UNK-903735bd-2
0.267
ELE-IMP-dfb36048-1
0.267
BEN-VAN-c986b20b-10
0.267
BEN-VAN-c986b20b-11
0.265