Molecular Properties | |
SMILES: | Cc1cc(CN(C(=O)NC2CC2)C(=O)C(C)c2cccc(Cl)c2)no1 |
MW: | 361.12 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.44 |
cLogP: | 3.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
Long aliphatic chain
TRY-UNI-9f475305-7
0.617
TRY-UNI-9f475305-6
0.484
AAR-POS-d2a4d1df-9
0.447
IFT-SAT-023cfffe-2
0.392
IFT-SAT-023cfffe-5
0.375
SIM-SYN-7db9eb24-2
0.365
RAF-SAT-b3ff87a1-1
0.345
SIM-SYN-3099a863-1
0.344
DAR-DIA-6a508060-16
0.337
BRU-CON-67e07230-1
0.333
FRA-DIA-3f9ae552-2
0.327
FRA-DIA-3f9ae552-1
0.324
IFT-SAT-023cfffe-4
0.324
SAM-UNK-2684b532-7
0.322
JAN-GHE-83b26c96-4
0.319
TRY-UNI-714a760b-18
0.319
TRY-UNI-2eddb1ff-5
0.319
TRY-UNI-2eddb1ff-4
0.319
JAN-GHE-83b26c96-5
0.319
FRA-DIA-3f9ae552-3
0.319
ALI-DIA-59c2fdb0-7
0.314
DAR-DIA-6a508060-14
0.313
FRA-DIA-8640f307-3
0.312
TRY-UNI-714a760b-15
0.312
MAK-UNK-987948f6-1
0.311
ALI-DIA-59c2fdb0-6
0.311
DAR-DIA-37454fd7-1
0.310
PET-SGC-210d4c30-1
0.310
MAK-UNK-f203cb68-19
0.310
JAN-GHE-83b26c96-3
0.300
JAN-GHE-83b26c96-6
0.298
JAN-GHE-83b26c96-7
0.298
JAN-GHE-83b26c96-2
0.295
DAR-DIA-37454fd7-3
0.293
AAR-POS-0daf6b7e-10
0.293
DAR-DIA-37454fd7-2
0.292
SAM-UNK-2684b532-5
0.292
SAM-UNK-2684b532-6
0.292
JOH-IMS-1436231f-1
0.291
MAK-UNK-f203cb68-2
0.290
ALI-DIA-59c2fdb0-3
0.290
WIL-LEE-1f71e281-4
0.289
ALI-DIA-59c2fdb0-8
0.288
MIC-SGC-657978c3-2
0.287
DAR-DIA-5a24bef0-14
0.287
DAR-DIA-5a24bef0-15
0.287
DAR-DIA-5a24bef0-16
0.287
FRA-DIA-8640f307-1
0.286
SAD-SAT-29425be4-7
0.286
IFT-SAT-023cfffe-1
0.286
MAK-UNK-f203cb68-10
0.286
MIC-SGC-657978c3-1
0.284
MAK-UNK-f203cb68-4
0.283
MAK-UNK-f203cb68-13
0.283
ALI-DIA-59c2fdb0-2
0.282
SAD-SAT-cefd50cc-2
0.281
ALI-DIA-59c2fdb0-9
0.280
MAK-UNK-f203cb68-22
0.280
ADA-UNI-f8e79267-10
0.280
ALI-DIA-59c2fdb0-1
0.279
ALI-DIA-59c2fdb0-5
0.279
FRA-DIA-8640f307-2
0.279
JOH-IMS-1436231f-5
0.278
JAN-GHE-f4ca5a00-18
0.276
MAK-UNK-f203cb68-20
0.275
WIL-LEE-1f71e281-3
0.275
EDG-MED-0da5ad92-12
0.275
MAK-UNK-ec98eaf6-1
0.275
MED-COV-4280ac29-7
0.274
JAN-GHE-83b26c96-9
0.274
RAF-SAT-b3ff87a1-2
0.273
SIM-SYN-3099a863-2
0.273
DAV-CRI-3edb475e-5
0.273
JOH-ILL-b8b12274-1
0.272
MAK-UNK-f203cb68-21
0.271
ALI-DIA-59c2fdb0-4
0.270
MAK-UNK-f203cb68-11
0.270
PET-SGC-2aaf6909-1
0.270
PET-UNK-f92d7c0c-5
0.270
PET-UNK-f92d7c0c-4
0.270
ADA-UNI-f8e79267-7
0.269
MAT-POS-90fd5f68-26
0.269
JAN-GHE-83b26c96-10
0.268
GIA-UNK-c4371e97-3
0.268
MAK-UNK-ffc90da7-4
0.267
MAK-UNK-c749d764-22
0.267
MAK-UNK-f203cb68-12
0.266
MIC-UNK-5a93dd5f-4
0.265
EDJ-MED-a364e151-3
0.265
MAK-UNK-10799360-36
0.263
DAV-CRI-3edb475e-4
0.262
MAK-UNK-ec98eaf6-50
0.262
NIM-NMI-8bb27a2b-3
0.262
MED-COV-4280ac29-6
0.261
PET-UNK-f92d7c0c-1
0.261
PET-UNK-f92d7c0c-6
0.261
JAN-GHE-83b26c96-1
0.260
EDG-MED-0da5ad92-5
0.260
SAM-UNK-2684b532-1
0.260
SEA-TRI-2c7f3de8-1
0.260