Molecular Properties | |
SMILES: | CC(C)[C@@](C)(O)C(=O)Nc1cnccc1C1CC1 |
MW: | 248.15 |
Fraction sp3: | 0.57 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 62.22 |
cLogP: | 2.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
JOH-IMS-d6628593-3
0.517
JOH-IMS-d6628593-1
0.484
EDJ-MED-3c65e9ce-2
0.471
IND-SYN-2c708b29-3
0.466
ALP-POS-95b75b4d-10
0.446
ALP-POS-95b75b4d-5
0.444
MAT-POS-bb423b95-4
0.444
MAR-TRE-9c797165-9
0.439
ALP-UNI-8d415491-1
0.400
ALP-POS-df536be7-3
0.398
ERI-UCB-9c7ec71b-2
0.390
EDJ-MED-e9694d2b-1
0.390
SAD-SAT-7d5528d9-6
0.378
SAD-SAT-7d5528d9-25
0.366
MAT-POS-590ac91e-5
0.362
SAD-SAT-24589cd1-9
0.348
MAK-UNK-6ca90168-27
0.339
MAT-POS-590ac91e-14
0.338
SAD-SAT-7d5528d9-35
0.337
ALP-POS-d054b76b-7
0.330
TRY-UNI-714a760b-16
0.329
MAT-POS-590ac91e-7
0.324
MAT-POS-590ac91e-13
0.324
MAK-UNK-6435e6c2-8
0.322
AAR-POS-d2a4d1df-3
0.322
TRY-UNI-714a760b-10
0.319
ALE-HEI-f28a35b5-6
0.319
EDG-MED-0da5ad92-4
0.319
MAT-POS-590ac91e-1
0.318
ERI-UCB-5b47150d-1
0.318
MAT-POS-590ac91e-2
0.318
JAN-GHE-83b26c96-22
0.316
EDG-MED-0da5ad92-10
0.316
MAT-POS-590ac91e-18
0.310
MAT-POS-590ac91e-19
0.310
SAD-SAT-24589cd1-10
0.308
MIH-UNI-6b9ca91a-2
0.306
TRY-UNI-714a760b-11
0.306
TRY-UNI-714a760b-17
0.306
ALE-HEI-f28a35b5-7
0.306
AHN-SAT-202241f6-1
0.306
ALE-HEI-f28a35b5-12
0.304
MAT-POS-590ac91e-11
0.304
MAT-POS-590ac91e-12
0.301
MAT-POS-590ac91e-22
0.301
MAT-POS-590ac91e-16
0.300
MAT-POS-5d20d11c-1
0.300
MAK-UNK-f203cb68-18
0.299
MAT-POS-590ac91e-26
0.297
MAT-POS-590ac91e-10
0.297
ALP-POS-95b75b4d-4
0.296
MAK-UNK-f2409524-20
0.296
MAK-UNK-f2409524-27
0.294
MAT-POS-590ac91e-21
0.293
BEN-DND-6de5dfa0-10
0.293
MAK-UNK-6ca90168-26
0.292
ERI-UCB-5b47150d-4
0.290
BEN-DND-93268d01-13
0.289
EDJ-MED-3c65e9ce-4
0.289
NAU-LAT-3f5f3993-2
0.289
PET-SGC-c429dc17-1
0.289
CES-WAB-18e74d70-1
0.289
ERI-UCB-5b47150d-6
0.288
BEN-DND-93268d01-15
0.288
MAK-UNK-f203cb68-9
0.284
BEN-DND-09b88bf4-8
0.284
MAT-POS-590ac91e-23
0.284
DAR-DIA-6a508060-12
0.284
DAR-DIA-0cde14eb-13
0.282
DAR-DIA-0cde14eb-11
0.282
MAK-UNK-f2409524-19
0.282
EDG-MED-0da5ad92-9
0.282
MAT-POS-590ac91e-28
0.282
MAT-POS-590ac91e-29
0.282
BAR-COM-0f94fc3d-38
0.280
ALE-HEI-f28a35b5-10
0.280
MAT-POS-590ac91e-24
0.280
MAT-POS-590ac91e-4
0.280
ASH-SAT-43770c7d-9
0.279
NIR-THE-b7e8e081-1
0.278
MAT-POS-590ac91e-25
0.278
MAR-TRE-74c6519b-57
0.278
SCO-VAN-260d9628-1
0.278
JAN-GHE-83b26c96-11
0.278
ALE-HEI-f28a35b5-17
0.278
MAT-POS-590ac91e-8
0.276
ALE-HEI-f28a35b5-11
0.276
CHA-KIN-ceadbd93-2
0.276
MAT-POS-590ac91e-3
0.276
TRY-UNI-bbd40bb4-6
0.276
JAN-GHE-83b26c96-23
0.275
RUB-POS-1325a9ea-19
0.275
PET-SGC-a8a902d9-1
0.275
TRY-UNI-2eddb1ff-8
0.275
TRY-UNI-bbd40bb4-5
0.275
MAK-UNK-f2409524-21
0.275
PET-SGC-6e7c5dc0-1
0.274
MAT-POS-590ac91e-6
0.274
BEN-DND-93268d01-14
0.273
CHA-KIN-ceadbd93-3
0.273