Molecular Properties | |
SMILES: | COc1cccc(C(F)C(=O)N2CCN(C(C)=O)CC2)c1 |
MW: | 294.14 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.85 |
cLogP: | 1.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JON-UNI-bb9dc649-6
0.508
JON-UIO-066ce08b-1
0.422
JON-UIO-066ce08b-4
0.391
GIA-UNK-4de5abb1-2
0.367
JON-UNI-bb9dc649-20
0.351
MAR-TRE-a9136c7b-5
0.349
JOH-UNK-14e6adc5-8
0.342
MAR-TRE-92684b97-77
0.338
BAR-COM-0f94fc3d-19
0.333
MAR-TRE-66ac689e-98
0.325
MAR-TRE-2fd8122f-97
0.321
ANT-OPE-7824651a-1
0.321
JON-UNI-bb9dc649-13
0.320
JON-UNI-bb9dc649-16
0.319
MAR-TRE-4f781e27-20
0.317
MAR-TRE-a9136c7b-78
0.317
MAK-UNK-6435e6c2-6
0.313
MAR-TRE-92684b97-29
0.312
MAR-TRE-66ac689e-93
0.312
PEI-IMP-ca0b2813-3
0.312
MAR-TRE-799db12b-87
0.309
MAK-UNK-6435e6c2-5
0.304
JON-UIO-066ce08b-8
0.303
MAR-TRE-799db12b-19
0.302
MAR-TRE-66ac689e-97
0.300
JAN-GHE-1d98ec1c-6
0.291
MAR-TRE-4b834d9a-73
0.291
MAR-TRE-92684b97-12
0.287
JON-UNI-bb9dc649-8
0.286
LUI-IND-2c46affe-3
0.286
MAK-UNK-902cc841-9
0.284
MAK-UNK-902cc841-7
0.281
ALE-MCD-a1893bfb-1
0.279
MAK-UNK-902cc841-10
0.278
MAK-UNK-6ca90168-19
0.277
MAR-TRE-9d18ae8c-19
0.276
MAK-UNK-6435e6c2-1
0.275
MAK-UNK-902cc841-8
0.275
ANT-STE-dbb91f63-2
0.273
WIL-LEE-23e8b574-1
0.271
JAN-GHE-1d98ec1c-2
0.269
JOH-UNI-27ac80fd-31
0.268
WIL-LEE-23e8b574-5
0.267
MAR-UCB-f313ec4d-5
0.264
BEN-DND-7e92b6ca-12
0.264
ANT-OPE-7824651a-2
0.263
JOH-UNK-14e6adc5-7
0.263
MAK-UNK-212f693e-1
0.261
JON-UIO-066ce08b-16
0.259
MAK-UNK-902cc841-14
0.258
PAT-UNK-b2d83456-3
0.256
JOH-UNI-0e1753c1-1
0.256
EMM-WAB-00d33046-1
0.256
PAT-UNK-b2d83456-1
0.253
DAN-MCD-5c762fbe-1
0.253
GIA-UNK-4de5abb1-5
0.253
JON-UNI-bb9dc649-3
0.253
DAR-DIA-caba39e3-2
0.253
MAK-UNK-902cc841-12
0.253
VLA-UCB-05e51b3f-2
0.253
NAU-LAT-a5c7d7cb-3
0.253
MAK-UNK-902cc841-13
0.253
MAK-UNK-7c9d1431-17
0.250
JAN-GHE-fd8d85a5-7
0.250
MAR-TRE-6a44bbf2-77
0.250
JON-UIO-066ce08b-3
0.250
JON-UNI-bb9dc649-4
0.250
JOH-MSK-ec639444-3
0.250
DAN-RED-da448e80-15
0.247
MAK-UNK-902cc841-11
0.247
JAN-GHE-1d98ec1c-8
0.247
PAT-UNK-b2d83456-2
0.247
JON-UIO-066ce08b-5
0.247
MAK-UNK-6435e6c2-11
0.246
MAK-UNK-4c6b313a-1
0.246
MAK-UNK-6435e6c2-10
0.246
JAR-KUA-8c13982c-20
0.244
WIL-LEE-23e8b574-8
0.244
MAK-UNK-7c9d1431-30
0.244
MAR-TRE-6a44bbf2-45
0.244
BEN-DND-6de5dfa0-21
0.244
MAK-UNK-6435e6c2-2
0.243
ALP-POS-ddb41b15-9
0.242
DAN-RED-da448e80-14
0.242
NAU-LAT-a5c7d7cb-6
0.242
LON-WEI-b8d98729-4
0.241
JAN-GHE-1d98ec1c-9
0.241
MAR-TRE-f5c2d31c-97
0.241
JAN-GHE-1d98ec1c-7
0.241
JOH-MEM-5e386bbd-4
0.241
JON-UIO-066ce08b-9
0.241
JON-UIO-066ce08b-11
0.241
LYN-UNI-7bb260d6-12
0.240
MAT-POS-b5746674-56
0.240
MAK-UNK-c8c8f7e2-1
0.240
WIL-LEE-23e8b574-4
0.240
MAR-TRE-f5c2d31c-82
0.240
EVA-UNK-a6bd3264-1
0.239
JAN-GHE-1d98ec1c-4
0.238
WIL-LEE-23e8b574-3
0.237