Molecular Properties | |
SMILES: | COc1cccc(C(F)C2CCN(C(C)=O)CC2)c1 |
MW: | 265.15 |
Fraction sp3: | 0.53 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 29.54 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JON-UNI-bb9dc649-11
0.508
JON-UNI-bb9dc649-13
0.507
JON-UNI-bb9dc649-8
0.464
JON-UNI-bb9dc649-20
0.417
MAR-TRE-92684b97-77
0.347
GIA-UNK-4de5abb1-2
0.341
MAR-TRE-2fd8122f-97
0.329
MAR-TRE-92684b97-12
0.326
BAR-COM-0f94fc3d-19
0.325
MAR-TRE-66ac689e-93
0.321
JOH-UNK-14e6adc5-8
0.317
MAR-TRE-a9136c7b-5
0.310
MAR-TRE-799db12b-19
0.310
MAR-TRE-a9136c7b-78
0.310
MAR-TRE-4f781e27-20
0.310
JON-UIO-066ce08b-6
0.310
JON-UNI-bb9dc649-3
0.309
MAR-TRE-799db12b-87
0.301
MAR-TRE-66ac689e-98
0.300
MAR-TRE-66ac689e-97
0.293
JON-UIO-066ce08b-5
0.292
MAR-TRE-92684b97-29
0.289
PEI-IMP-ca0b2813-3
0.287
MAR-TRE-9d18ae8c-19
0.284
DRA-CSI-47e38074-2
0.284
MAK-UNK-212f693e-2
0.282
JON-UNI-bb9dc649-14
0.275
JON-UNI-bb9dc649-15
0.275
JON-UNI-bb9dc649-16
0.274
JON-UNI-bb9dc649-2
0.272
MAR-TRE-4b834d9a-73
0.270
JON-UNI-bb9dc649-9
0.269
MAK-UNK-6435e6c2-6
0.268
ANT-STE-dbb91f63-2
0.267
ANT-OPE-7824651a-1
0.265
MAR-TRE-1c920f6f-90
0.264
DAR-DIA-caba39e3-2
0.261
WIL-LEE-23e8b574-5
0.260
DRA-CSI-47e38074-13
0.259
JON-UNI-bb9dc649-19
0.259
LON-WEI-b2874fec-11
0.259
MAR-TRE-9d18ae8c-86
0.258
BEN-DND-7e92b6ca-12
0.258
MAR-UCB-f313ec4d-5
0.258
MAK-UNK-6ca90168-11
0.257
JON-UIO-066ce08b-1
0.257
MAK-UNK-10dfa458-10
0.256
BEN-VAN-d8fd1356-28
0.256
MAK-UNK-212f693e-16
0.254
MAK-UNK-af83ef51-6
0.253
MAR-TRE-6a44bbf2-82
0.253
GIA-UNK-20b63697-5
0.253
BEN-VAN-d8fd1356-25
0.253
LUI-IND-2c46affe-3
0.250
EVA-UNK-a6bd3264-1
0.250
MAK-UNK-212f693e-14
0.250
DAV-IMP-59dd6621-3
0.250
ALP-POS-ddb41b15-9
0.250
JON-UNI-bb9dc649-5
0.250
GIA-UNK-20b63697-8
0.250
BEN-VAN-d8fd1356-29
0.250
JAN-GHE-76def03c-3
0.248
RIT-UNK-fa3975ff-1
0.247
BEN-VAN-d8fd1356-26
0.247
RED-RED-10c9212c-20
0.247
NAU-LAT-3f5f3993-2
0.247
MAK-UNK-212f693e-3
0.247
MIH-UNI-e573136b-7
0.244
DRA-CSI-47e38074-6
0.244
MAR-TRE-4f781e27-56
0.244
JOH-MSK-ec639444-3
0.244
MAK-UNK-6435e6c2-5
0.243
BEN-VAN-d8fd1356-27
0.242
MAR-TRE-9d18ae8c-24
0.242
JOH-UNK-14e6adc5-7
0.241
AAR-POS-fca48359-5
0.241
DRA-CSI-47e38074-3
0.240
MAR-TRE-dab8f6ea-9
0.240
SAD-SAT-5b1897b2-4
0.240
JAR-KUA-8c13982c-20
0.239
GIA-UNK-995df016-6
0.239
JUL-TUD-06b2044f-114
0.239
GIA-UNK-20b63697-4
0.238
MAR-TRE-6a44bbf2-45
0.238
MAK-UNK-7c9d1431-30
0.238
KUS-THE-322b9b63-15
0.238
BEN-DND-1e24cf73-7
0.237
MAR-TRE-799db12b-90
0.236
WAR-XCH-b6889685-49
0.236
MAR-TRE-f5c2d31c-97
0.235
ERI-UCB-a0b0dbcb-1
0.235
MAR-TRE-f5c2d31c-82
0.235
MAR-TRE-2fd8122f-87
0.235
MAK-UNK-7a704a63-14
0.235
JOH-MEM-5e386bbd-4
0.235
NIR-THE-0d6461ce-1
0.235
MAK-UNK-c8c8f7e2-28
0.235
VLA-UCB-05e51b3f-2
0.234
NAU-LAT-a5c7d7cb-3
0.234
LYN-UNI-7bb260d6-12
0.234