Molecular Properties | |
SMILES: | CC(C)CCc1ccccc1CC(=O)c1ccccc1 |
MW: | 266.384 |
Fraction sp3: | 0.32 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 17.07 |
cLogP: | 4.7006 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
ERI-WAB-212bafa6-1
0.660
ERI-WAB-56c49854-1
0.403
MAX-MCD-16e3709a-1
0.276
MAK-UNK-27459e11-7
0.266
WAR-XCH-bdd24732-40
0.263
KEW-UNK-0d9f198e-1
0.260
SAD-SAT-d8079f6f-10
0.250
CHR-SOS-7098f804-9
0.246
MAR-TRE-e86a56b5-41
0.244
MAR-TRE-8a25d817-52
0.243
ALE-UNK-fca05062-8
0.239
MAR-TRE-0fda4e82-40
0.237
ANT-DIA-b7f58f21-4
0.237
MAK-UNK-10dfa458-9
0.233
MAK-UNK-af83ef51-2
0.233
MAR-LAB-ca4662a6-3
0.232
BAR-COM-5694a99d-4
0.232
WAR-XCH-72a8c209-7
0.231
MAR-TRE-92684b97-54
0.231
MAK-UNK-129dcd6f-6
0.230
NIC-BIO-3276ca7f-7
0.229
MAR-TRE-9d18ae8c-73
0.227
SAN-PRS-3c4a6997-2
0.225
VLA-UNK-b5cf542b-1
0.224
MAR-TRE-4f781e27-29
0.224
ROM-UNK-ef52a3c9-4
0.224
PET-UNK-b87f07d0-2
0.223
MAR-TRE-6a44bbf2-71
0.222
MAR-TRE-799db12b-74
0.221
MAK-UNK-942dcb71-7
0.221
SID-ELM-2583a2cd-8
0.221
AAR-UNI-c25c2f1e-100
0.221
PET-SGC-0f1d26ed-2
0.221
ZAC-WAB-0847d168-1
0.219
NIC-BIO-3276ca7f-4
0.218
MAR-TRE-a78003aa-29
0.218
MIH-UNI-e573136b-5
0.218
BEN-DND-93268d01-1
0.217
BEN-DND-03406596-4
0.217
BEN-DND-03406596-12
0.217
BEN-DND-03406596-11
0.217
MAR-TRE-9d18ae8c-50
0.217
MAK-UNK-bae89c02-4
0.217
LAU-FAC-8471e121-1
0.216
SAD-SAT-c989feaa-4
0.215
AAR-UNI-c25c2f1e-33
0.215
JON-UIO-066ce08b-16
0.215
MAR-LAB-ff9967db-35
0.215
MAR-TRE-d3c2bf0e-11
0.214
WES-WAB-2b40d25a-1
0.213
SAN-PRS-3c4a6997-1
0.213
MAR-TRE-87acfbcc-35
0.213
DAV-IMP-59dd6621-12
0.213
MAK-UNK-df1a028e-4
0.212
MAK-UNK-987948f6-2
0.212
ALP-POS-02c6a514-11
0.212
AAR-UNI-c25c2f1e-23
0.212
MAR-TRE-9d18ae8c-9
0.212
TRY-UNI-714a760b-4
0.211
JOH-UNI-c7afdb96-12
0.211
ALE-HEI-f28a35b5-1
0.211
NIC-UNI-0cb6411b-1
0.211
JON-UIO-066ce08b-9
0.211
MAR-TRE-87acfbcc-95
0.211
LAU-FAC-e2c8b4ad-1
0.210
MAT-POS-bfefc3ea-2
0.210
DAR-DIA-eace69ff-20
0.210
MAR-TRE-85681e92-53
0.209
CUN-WAB-25b584ee-1
0.209
MAR-TRE-e86a56b5-69
0.208
WIL-LEE-364b6ea8-16
0.208
HAN-NEW-5f56c3bc-1
0.208
AAR-UNI-c25c2f1e-16
0.208
AAR-UNI-c25c2f1e-30
0.208
BEN-DND-93268d01-14
0.208
MAR-TRE-e86a56b5-94
0.208
SAD-SAT-689b7d5a-6
0.207
SAD-SAT-6b5a89f0-8
0.207
ALE-UNK-fca05062-7
0.205
TRY-UNI-714a760b-8
0.205
JUS-UNI-57125a42-1
0.205
NIC-BIO-b40446ce-2
0.204
ANT-DIA-b7f58f21-3
0.203
MAK-UNK-27459e11-2
0.203
JON-UIO-d041ac75-1
0.203
MAR-TRE-e86a56b5-66
0.203
BEN-DND-93268d01-15
0.203
TRY-UNI-714a760b-17
0.203
AHN-SAT-202241f6-1
0.203
JOH-MSK-ec639444-3
0.203
AAR-UNI-c25c2f1e-65
0.203
AAR-UNI-c25c2f1e-82
0.203
AAR-UNI-c25c2f1e-2
0.203
SIM-DEM-5935bd74-3
0.203
SAD-SAT-689b7d5a-4
0.203
MAK-UNK-129dcd6f-8
0.202
MAK-UNK-c44f4be0-1
0.202
MAR-TRE-85681e92-68
0.200
MAR-TRE-85681e92-69
0.200
MAR-TRE-b77b7921-56
0.200