Molecular Properties | |
SMILES: | COc1ncc(Cl)cc1C(=O)N[C@H](C=O)C1CC1 |
MW: | 268.06 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.29 |
cLogP: | 1.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aldehyde
aldehyde
Aldehydes
Filter38_aldehyde
aldehyde
aldehyde
Aldehyde
CLI-TLC-d1d1c3aa-1
0.453
CLI-TLC-bf000c24-1
0.427
CLI-TLC-e8bfb023-1
0.416
CLI-TLC-a809b4cd-1
0.308
CLI-TLC-c624b5b9-1
0.304
MAR-TRE-67513f76-80
0.276
MAR-TRE-67513f76-17
0.274
MAR-TRE-67513f76-57
0.273
CLI-TLC-c32d07cb-1
0.271
CLI-TLC-e39570bf-1
0.271
MAR-TRE-9c797165-75
0.271
DAR-DIA-8e329c92-4
0.268
MAR-TRE-67513f76-63
0.253
MAR-TRE-3e4e6814-52
0.250
BRU-CON-67e07230-1
0.247
MAR-TRE-7f7bb9f0-62
0.244
MAR-TRE-67513f76-98
0.244
JOH-UNI-f51e3bbc-2
0.243
MAR-TRE-67513f76-83
0.242
MAR-TRE-67513f76-36
0.241
MAR-TRE-74c6519b-85
0.239
MAR-TRE-a9136c7b-49
0.239
JOH-UNI-f51e3bbc-4
0.238
MAR-TRE-9d18ae8c-86
0.237
JAN-GHE-f4ca5a00-6
0.236
MAR-TRE-4b834d9a-62
0.236
EDJ-MED-97c1bf5c-4
0.234
MAR-TRE-9c797165-20
0.233
NAU-LAT-e1818702-3
0.233
MAR-TRE-c317dd82-94
0.233
MAR-TRE-66ac689e-80
0.233
MAR-TRE-e82e6c98-46
0.231
ANT-OPE-6e66bf84-2
0.229
JIN-POS-6dc588a4-23
0.228
MAR-TRE-87acfbcc-68
0.228
MAR-TRE-9c797165-41
0.227
BAR-COM-0f94fc3d-55
0.227
MAR-TRE-04c86cea-94
0.227
CLI-SEL-e6be0654-1
0.226
MAR-TRE-66ac689e-97
0.225
JAN-GHE-83b26c96-6
0.225
MAR-TRE-7f7bb9f0-98
0.225
MAR-TRE-9c797165-5
0.225
MAR-TRE-66ac689e-18
0.224
JON-UNI-bb9dc649-13
0.224
MAR-TRE-d0525fbf-53
0.224
MAR-TRE-04c86cea-84
0.224
EDJ-MED-97c1bf5c-3
0.222
TRY-UNI-2eddb1ff-8
0.220
MAR-TRE-67513f76-38
0.220
MAR-TRE-67513f76-45
0.220
EDJ-MED-bbe8e3da-2
0.219
SAM-UNK-2684b532-7
0.218
MAT-POS-e478a234-1
0.218
BAR-COM-4e090d3a-26
0.216
MAR-TRE-e82e6c98-13
0.216
MAR-TRE-f6f5f473-63
0.216
MAL-TAK-9a9c9ad0-1
0.216
JOH-UNI-ededfdb6-8
0.216
DAR-DIA-1a77c53a-12
0.216
DAR-DIA-1a77c53a-13
0.216
CHR-SOS-7098f804-15
0.215
TRY-UNI-9f475305-8
0.214
MAT-POS-8293a91a-1
0.214
DAR-DIA-1a77c53a-23
0.214
JOH-UNI-ededfdb6-7
0.214
PET-UNK-7279c968-6
0.213
LON-WEI-0a73fcb8-2
0.212
AAR-POS-f650c5f2-4
0.211
LON-WEI-120e5cf5-17
0.211
MAR-TRE-a9136c7b-70
0.211
AAR-POS-5507155c-2
0.211
LON-WEI-120e5cf5-1
0.211
ALP-POS-bea7b391-2
0.211
MAR-TRE-e82e6c98-71
0.209
MAR-TRE-92684b97-77
0.209
BEN-DND-61647d40-17
0.209
EDJ-MED-97c1bf5c-5
0.209
MAR-UCB-fd2e172f-18
0.209
JAR-KUA-41bd5a3d-1
0.209
MAR-TRE-be9ff7d2-78
0.208
DAR-DIA-8e329c92-6
0.208
TRY-UNI-2eddb1ff-7
0.208
WIL-MOD-03b86a88-1
0.208
MAR-TRE-4b834d9a-56
0.207
ALF-EVA-0b412456-2
0.207
JON-UIO-e1edb2d8-4
0.207
MAT-POS-590ac91e-14
0.207
MAR-TRE-a9136c7b-59
0.207
MAT-POS-1e5f28a7-1
0.207
MAR-TRE-f6f5f473-37
0.207
RED-RED-10c9212c-13
0.207
CLI-SEL-8a9c31f1-1
0.207
MAK-UNK-f203cb68-21
0.206
RAL-THA-065e0743-2
0.206
MAR-UCB-fd2e172f-1
0.206
ERI-UCB-ce40166b-18
0.205
MAR-TRE-a78003aa-67
0.205
MAT-POS-590ac91e-5
0.205
GIA-UNK-a79af1bc-1
0.205