Molecular Properties | |
SMILES: | O=CCc1c[nH]c2ccc(O)cc12 |
MW: | 175.187 |
Fraction sp3: | 0.1 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 53.09 |
cLogP: | 1.6149 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | BBV-39783392 |
Mcule: | MCULE-2531351464 |
aldehyde
aldehyde
Aldehydes
Filter38_aldehyde
aldehyde
aldehyde
Aldehyde
AAR-POS-d2a4d1df-2
JOH-MSK-a63bdd1d-9
0.519
MAR-UCB-195bc32d-19
0.519
MAR-UCB-195bc32d-4
0.518
MAR-UCB-195bc32d-16
0.500
JOH-MSK-a63bdd1d-4
0.500
MAR-TRE-85681e92-10
0.426
MAR-TRE-85681e92-45
0.414
MAR-TRE-36bf7dba-75
0.403
MAR-TRE-be9ff7d2-10
0.397
MAR-TRE-4f39ef4a-31
0.392
DAR-DIA-eace69ff-35
0.311
JOH-MSK-a63bdd1d-7
0.306
ALE-ACE-2610ee4d-1
0.304
MAR-UCB-195bc32d-21
0.304
JOH-MSK-35a8745a-1
0.304
ABI-SAT-30e287c1-2
0.303
JOH-MSK-a63bdd1d-5
0.301
DAR-DIA-eace69ff-36
0.295
DAR-DIA-eace69ff-37
0.295
SAN-PRS-3c4a6997-4
0.294
SAN-PRS-3c4a6997-1
0.294
AAR-POS-d2a4d1df-2
0.294
SCO-VAN-260d9628-5
0.294
MAR-UCB-195bc32d-23
0.292
MAR-UNI-9ca61fdc-1
0.286
NAU-LAT-81109c57-1
0.284
MAT-POS-2db6411e-1
0.282
MAT-GIT-deadff56-1
0.282
DUN-NEW-f8ce3686-12
0.282
JOH-MEM-4bb7e4cc-1
0.282
MAK-UNK-be5ffcbc-8
0.282
ANT-OPE-47f3bb65-4
0.279
ANT-OPE-47f3bb65-5
0.275
NAU-LAT-81109c57-8
0.270
AMI-SHA-0ab64bbd-1
0.270
AMI-SHA-be6e1b75-1
0.270
MAR-UCB-195bc32d-9
0.268
ANT-OPE-47f3bb65-2
0.268
MAR-TRE-d3c2bf0e-32
0.267
MAR-TRE-85681e92-12
0.266
ANT-OPE-47f3bb65-3
0.264
ANT-OPE-47f3bb65-1
0.264
LON-WEI-b8d98729-34
0.264
TOM-OIS-cbf37265-2
0.264
MAR-TRE-c317dd82-38
0.262
MAR-TRE-be9ff7d2-73
0.259
MAR-TRE-85681e92-20
0.259
MAR-TRE-92684b97-67
0.256
JAN-GHE-c863d918-1
0.256
SAN-PRS-3c4a6997-2
0.254
MAK-UNK-be5ffcbc-7
0.253
MAR-TRE-fd17a9b8-41
0.253
MAR-TRE-85681e92-60
0.250
JOH-MSK-a63bdd1d-6
0.250
MAR-TRE-4f781e27-26
0.250
MAR-UCB-195bc32d-22
0.250
MAR-UCB-195bc32d-18
0.250
MAR-TRE-85681e92-38
0.250
MAK-UNK-be5ffcbc-3
0.247
MAR-TRE-4f39ef4a-34
0.247
MAK-UNK-be5ffcbc-1
0.247
CUN-WAB-25b584ee-2
0.246
MAR-TRE-04c86cea-51
0.244
NAU-LAT-81109c57-2
0.244
MAR-TRE-4f39ef4a-51
0.244
MAK-UNK-72b7ba6b-1
0.242
MAK-UNK-176ca439-5
0.242
MAR-TRE-c317dd82-56
0.241
MAR-TRE-4f39ef4a-57
0.241
WIL-UNI-1faa9b10-29
0.238
MAR-TRE-4f39ef4a-26
0.238
JOH-MSK-a63bdd1d-10
0.238
MAK-UNK-10dfa458-15
0.237
MAR-TRE-fd17a9b8-1
0.237
FRA-LAB-04e32718-1
0.235
NAU-LAT-81109c57-4
0.235
ANT-OPE-ab37bd51-2
0.234
MAR-TRE-7f7bb9f0-83
0.233
MAK-UNK-37f1d6fa-1
0.232
MAR-TRE-fffca54f-95
0.232
BUT-SEX-9e782cc8-1
0.230
AAR-UNI-c25c2f1e-29
0.229
MAK-UNK-10572812-15
0.223
LYN-UNI-b265e4fd-7
0.222
MAK-UNK-10572812-8
0.221
ALP-POS-a3de0cb1-15
0.221
MAR-TRE-f5c2d31c-47
0.221
TOM-OIS-cbf37265-1
0.220
MAR-TRE-4f39ef4a-5
0.220
NIC-BIO-3276ca7f-2
0.220
MAR-TRE-fd17a9b8-10
0.218
MAK-UNK-10572812-9
0.218
MAK-UNK-37f1d6fa-2
0.217
MAR-TRE-fd17a9b8-35
0.217
MAK-UNK-37f1d6fa-7
0.216
MAR-TRE-4f781e27-69
0.214
MAK-UNK-10572812-17
0.214
JOH-MSK-a63bdd1d-1
0.213
MAR-TRE-85681e92-33
0.212
MAK-UNK-37f1d6fa-6
0.212