Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1C1CCC2(Cc3cccc2c3)C1 |
MW: | 292.16 |
Fraction sp3: | 0.37 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 41.99 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-26
0.535
SAD-SAT-7d5528d9-29
0.481
SAD-SAT-7d5528d9-27
0.461
SAD-SAT-7d5528d9-30
0.453
SAD-SAT-7d5528d9-6
0.409
SAD-SAT-7d5528d9-28
0.404
SAD-SAT-7d5528d9-35
0.385
ALP-POS-95b75b4d-10
0.374
JOH-IMS-d6628593-2
0.366
EDJ-MED-3c65e9ce-2
0.344
MAT-POS-bb423b95-4
0.341
ALP-POS-95b75b4d-5
0.341
SAD-SAT-24589cd1-9
0.327
IND-SYN-2c708b29-3
0.321
SAD-SAT-7d5528d9-34
0.319
JAN-GHE-83b26c96-20
0.315
EDG-MED-0da5ad92-11
0.315
MAK-UNK-6435e6c2-8
0.315
AAR-POS-d2a4d1df-3
0.315
MAT-POS-590ac91e-29
0.311
BAR-COM-0f94fc3d-25
0.305
ALP-UNI-8d415491-1
0.300
DAR-DIA-0cde14eb-10
0.299
MAR-TRE-9c797165-9
0.299
MAT-POS-590ac91e-22
0.299
DAR-DIA-0cde14eb-5
0.298
MAT-POS-590ac91e-4
0.295
DAR-DIA-0cde14eb-6
0.295
ALP-POS-95b75b4d-4
0.295
DAR-DIA-0cde14eb-1
0.295
DAR-DIA-0cde14eb-7
0.295
DAR-DIA-0cde14eb-8
0.295
EDJ-MED-e9694d2b-1
0.294
ERI-UCB-9c7ec71b-2
0.294
SAD-SAT-24589cd1-10
0.292
MAT-POS-590ac91e-21
0.292
DAR-DIA-0cde14eb-2
0.292
DAR-DIA-0cde14eb-4
0.289
DAR-DIA-0cde14eb-9
0.289
BAR-COM-0f94fc3d-59
0.289
DAR-DIA-0cde14eb-3
0.289
ALP-POS-df536be7-3
0.288
BEN-DND-6de5dfa0-15
0.284
DAR-DIA-0cde14eb-12
0.283
DAR-DIA-0cde14eb-13
0.283
DAR-DIA-0cde14eb-11
0.283
CHR-SOS-e960e883-6
0.282
MAT-POS-590ac91e-24
0.281
MAT-POS-590ac91e-26
0.281
MAK-UNK-f2409524-27
0.280
DAR-DIA-0cde14eb-14
0.280
MAT-POS-590ac91e-25
0.280
MIH-UNI-6b9ca91a-3
0.279
MAK-UNK-6ca90168-27
0.278
MAT-POS-590ac91e-3
0.278
CHR-SOS-e960e883-5
0.276
MAT-POS-590ac91e-18
0.276
MAT-POS-590ac91e-6
0.276
DAR-DIA-0cde14eb-15
0.275
BEN-DND-6de5dfa0-14
0.274
MAT-POS-590ac91e-5
0.273
MAT-POS-590ac91e-7
0.273
ADA-UCB-6c2cb422-2
0.273
MAT-POS-590ac91e-9
0.273
MAK-UNK-f203cb68-9
0.272
CHA-KIN-ceadbd93-1
0.272
CHR-SOS-e960e883-4
0.271
SAD-SAT-7d5528d9-48
0.271
ALE-HEI-f28a35b5-12
0.271
MAT-POS-590ac91e-13
0.271
CHR-SOS-1f323c23-11
0.269
ASH-UNK-40b46b30-8
0.269
MAT-POS-590ac91e-28
0.269
MAK-UNK-f2409524-20
0.268
WAR-XCH-e55cba98-9
0.268
SAM-UNK-2684b532-8
0.267
CHR-SOS-6c45c019-5
0.267
ASH-UNK-40b46b30-11
0.265
CHR-SOS-6c45c019-11
0.265
SAD-SAT-7d5528d9-5
0.265
MAK-UNK-f2409524-1
0.265
DAR-DIA-23e5a6a0-29
0.264
CHR-SOS-1f323c23-8
0.264
CES-WAB-18e74d70-1
0.263
PET-SGC-c429dc17-1
0.263
SAD-SAT-7d5528d9-50
0.262
MAT-POS-136e7878-1
0.262
CHR-SOS-1f323c23-5
0.262
MAT-POS-590ac91e-19
0.261
NAU-LAT-3f5f3993-2
0.261
EDJ-MED-e58735b6-2
0.261
EDJ-MED-3c65e9ce-4
0.261
MAK-UNK-6ca90168-24
0.261
DAR-DIA-23e5a6a0-12
0.261
WAR-XCH-e55cba98-11
0.260
GAB-REV-70cc3ca5-19
0.260
DAR-DIA-23e5a6a0-23
0.259
ERI-UCB-5b47150d-4
0.259
DAR-DIA-23e5a6a0-20
0.259
ALE-HEI-f28a35b5-7
0.258