Molecular Properties | |
SMILES: | CC(=O)NCC[C@H]1COc2c(NC(=O)Nc3cnccc3C)cc(Cl)cc21 |
MW: | 388.13 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 92.35 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-ea979c74-1
0.697
MIC-UNK-ea979c74-3
0.648
MIC-UNK-ea979c74-4
0.557
JAG-UCB-cedd89ab-8
0.409
TRY-UNI-714a760b-12
0.409
RAL-THA-6b94ceba-5
0.381
NAU-LAT-0543f7f2-1
0.379
ALE-HEI-f28a35b5-13
0.376
ALE-HEI-f28a35b5-1
0.372
TRY-UNI-714a760b-4
0.372
MAK-UNK-6ca90168-26
0.370
WIL-MOD-03b86a88-2
0.370
DAR-DIA-0cde14eb-68
0.368
DAR-DIA-0cde14eb-66
0.365
AAR-POS-d2a4d1df-3
0.364
MAK-UNK-6435e6c2-8
0.364
ADA-UCB-6c2cb422-2
0.364
DAR-DIA-6a508060-6
0.363
BRU-CON-c4e3408a-1
0.363
MAT-POS-b3e365b9-4
0.363
MAT-POS-b3e365b9-3
0.363
JAN-GHE-f4ca5a00-13
0.363
DAR-DIA-0cde14eb-6
0.361
ALE-HEI-f28a35b5-2
0.360
NAU-LAT-3f5f3993-2
0.359
SAM-UNK-2684b532-8
0.356
MAT-POS-5d20d11c-1
0.356
MAT-POS-590ac91e-16
0.356
WIL-MOD-03b86a88-4
0.356
DAR-DIA-0cde14eb-65
0.354
DAR-DIA-0cde14eb-9
0.354
MAT-POS-590ac91e-4
0.352
CHR-SOS-363cfb78-2
0.351
DAR-DIA-0cde14eb-5
0.351
DAR-DIA-0cde14eb-67
0.351
RAL-THA-6b94ceba-6
0.351
NAT-WAB-78d8bb1c-1
0.349
MAT-POS-590ac91e-8
0.348
BEN-DND-93268d01-8
0.348
ALE-HEI-f28a35b5-11
0.348
MAT-POS-590ac91e-3
0.348
DAR-DIA-23e5a6a0-20
0.348
EDJ-MED-3c65e9ce-1
0.348
TRY-UNI-714a760b-24
0.347
DAR-DIA-0cde14eb-7
0.347
DAR-DIA-0cde14eb-8
0.347
NAU-LAT-0543f7f2-3
0.345
NAU-LAT-30527ac5-5
0.345
MAT-POS-590ac91e-13
0.345
DAR-DIA-23e5a6a0-16
0.345
TRY-UNI-714a760b-11
0.344
ALE-HEI-f28a35b5-7
0.344
TRY-UNI-714a760b-6
0.344
ALP-POS-f13221e1-4
0.344
JAN-GHE-83b26c96-9
0.344
TRY-UNI-1fd04853-2
0.343
DAR-DIA-0cde14eb-69
0.343
SAD-SAT-7d5528d9-7
0.343
DAR-DIA-0cde14eb-21
0.343
DAR-DIA-23e5a6a0-18
0.342
DAR-DIA-23e5a6a0-19
0.342
MAT-POS-590ac91e-1
0.341
MAT-POS-590ac91e-2
0.341
ERI-UCB-5b47150d-1
0.341
GAB-REV-70cc3ca5-21
0.341
EDG-MED-0da5ad92-3
0.340
BEN-DND-6de5dfa0-14
0.340
MAT-POS-e501d84c-1
0.340
DAR-DIA-23e5a6a0-13
0.339
DAR-DIA-23e5a6a0-17
0.339
BEN-DND-93268d01-10
0.337
MAT-POS-590ac91e-10
0.337
MAT-POS-590ac91e-26
0.337
MAT-POS-590ac91e-28
0.337
MAK-UNK-f203cb68-18
0.337
MAT-POS-c9973a83-1
0.337
BEN-DND-6de5dfa0-6
0.337
BEN-DND-6de5dfa0-12
0.337
MAK-UNK-f203cb68-1
0.336
TRY-UNI-bbd40bb4-5
0.336
DAR-DIA-23e5a6a0-26
0.336
CHO-MSK-6e55470f-1
0.333
RAL-THA-6b94ceba-8
0.333
NAU-LAT-0543f7f2-5
0.333
EDG-MED-0da5ad92-8
0.333
TRY-UNI-2eddb1ff-2
0.333
SIM-DEM-f31d0e65-1
0.333
MAT-POS-590ac91e-19
0.333
MAT-POS-500ca5bf-1
0.333
CHO-MSK-6e55470f-2
0.331
DAR-DIA-23e5a6a0-15
0.331
CHO-MSK-6e55470f-8
0.330
CHO-MSK-6e55470f-9
0.330
GAB-REV-70cc3ca5-22
0.330
NAU-LAT-30527ac5-2
0.330
NIR-THE-b7e8e081-2
0.330
BEN-DND-6de5dfa0-16
0.330
EDG-MED-0da5ad92-5
0.330
EDJ-MED-3c65e9ce-4
0.330
MAT-POS-590ac91e-5
0.330