Molecular Properties | |
SMILES: | COc1cccc(/C(F)=C/C2CCN(C(C)=O)CC2)c1 |
MW: | 277.15 |
Fraction sp3: | 0.44 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 29.54 |
cLogP: | 3.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JON-UNI-bb9dc649-14
0.600
JON-UNI-bb9dc649-3
0.479
JON-UNI-bb9dc649-2
0.438
JON-UNI-bb9dc649-6
0.417
JON-UNI-bb9dc649-11
0.351
JON-UNI-bb9dc649-19
0.351
JON-UNI-bb9dc649-13
0.338
JON-UNI-bb9dc649-8
0.321
JON-UNI-bb9dc649-15
0.316
MAR-TRE-aca67d11-8
0.300
JOH-UNK-14e6adc5-8
0.294
DRA-CSI-47e38074-2
0.294
MAK-UNK-212f693e-2
0.292
MAR-TRE-8a25d817-18
0.284
DRA-CSI-47e38074-13
0.284
PEI-IMP-ca0b2813-3
0.280
JON-UNI-bb9dc649-9
0.278
JON-UNI-bb9dc649-5
0.273
MAR-TRE-1c920f6f-90
0.273
DRA-CSI-47e38074-3
0.267
BEN-DND-76ad4ac9-4
0.266
SAD-SAT-24589cd1-9
0.263
MAK-UNK-212f693e-14
0.260
ALP-POS-02c6a514-25
0.259
ANT-OPE-7824651a-1
0.259
LUI-IND-2c46affe-3
0.258
JON-UIO-066ce08b-6
0.258
WIL-LEE-23e8b574-1
0.257
MAK-UNK-212f693e-3
0.256
DAR-DIA-caba39e3-2
0.256
MAR-TRE-4f781e27-35
0.253
DRA-CSI-47e38074-6
0.253
MAR-TRE-9d18ae8c-86
0.253
MAK-UNK-10dfa458-10
0.250
JON-UNI-bb9dc649-16
0.250
JON-UIO-066ce08b-5
0.250
AAR-POS-fca48359-5
0.250
MAR-TRE-dab8f6ea-9
0.248
LON-WEI-4d77710c-68
0.247
LON-WEI-5e7d1b3e-68
0.247
MAT-POS-ea426761-10
0.247
ANT-STE-dbb91f63-2
0.247
MAR-TRE-799db12b-92
0.247
AAR-POS-fca48359-4
0.247
JUL-TUD-06b2044f-114
0.247
MAK-UNK-212f693e-16
0.247
DAV-IMP-59dd6621-21
0.246
BEN-DND-1e24cf73-7
0.245
GIA-UNK-4de5abb1-2
0.244
MAR-TRE-a9136c7b-78
0.244
DAV-IMP-59dd6621-3
0.244
JOH-MEM-5e386bbd-4
0.244
MAK-UNK-6435e6c2-6
0.243
JAN-GHE-76def03c-3
0.243
JAN-GHE-fd8d85a5-8
0.241
MAR-TRE-4f781e27-37
0.241
NAU-LAT-3f5f3993-2
0.241
MAR-TRE-92684b97-77
0.241
PAT-UNK-b2d83456-1
0.241
MAR-TRE-6c5ef77a-34
0.239
MAT-POS-53907a1c-1
0.239
MAR-TRE-4f781e27-56
0.239
JUL-TUD-06b2044f-78
0.237
NIM-UNI-310206f0-48
0.237
MAK-UNK-6435e6c2-5
0.237
JAG-UCB-c61058a9-31
0.235
PAT-UNK-b2d83456-2
0.235
ANN-UNI-26382800-6
0.235
MAR-TRE-be9ff7d2-88
0.235
MAR-TRE-a9136c7b-5
0.234
MAR-TRE-e86a56b5-16
0.234
MAR-TRE-8190bb11-70
0.233
SAD-SAT-89668ff1-2
0.233
GIA-UNK-5ec6c2b8-1
0.233
JAN-GHE-1d98ec1c-6
0.233
MAR-TRE-66ac689e-98
0.233
EDJ-MED-e58735b6-1
0.233
GIA-UNK-995df016-6
0.232
MAK-UNK-af83ef51-6
0.232
BEN-DND-1e24cf73-6
0.232
BEN-VAN-d8fd1356-29
0.232
MAK-UNK-10dfa458-12
0.231
CHA-MCP-85291e1d-3
0.231
MAR-TRE-f5c2d31c-82
0.230
MAR-TRE-2fd8122f-87
0.230
MAR-TRE-f5c2d31c-97
0.230
LON-WEI-120e5cf5-19
0.230
MAR-TRE-8190bb11-58
0.230
JON-UNI-bb9dc649-12
0.230
MAK-UNK-212f693e-1
0.230
MAK-UNK-902cc841-12
0.229
EDJ-MED-7bb79bc5-1
0.229
PAT-UNK-b2d83456-3
0.229
MAR-TRE-e86a56b5-43
0.229
BEN-VAN-d8fd1356-26
0.228
LYN-UNI-7bb260d6-12
0.228
MAK-UNK-212f693e-30
0.228
ERI-UCB-a0b0dbcb-11
0.228
MAR-TRE-36bf7dba-54
0.227
MAR-TRE-66ac689e-97
0.227