Molecular Properties | |
SMILES: | O=C(CC12CCC(CC1)C2)Nc1cnccc1CO |
MW: | 260.337 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 62.22 |
cLogP: | 2.4828 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3542454033 |
CHA-KIN-ceadbd93-5
0.529
CHA-KIN-ceadbd93-2
0.500
CHA-KIN-ceadbd93-4
0.474
CHA-KIN-ceadbd93-3
0.431
MAT-POS-590ac91e-6
0.400
THO-SYG-cc9e9a11-6
0.400
MAT-POS-590ac91e-25
0.395
THO-SYG-cc9e9a11-5
0.388
JAG-UCB-a3ef7265-3
0.386
LON-WEI-0a73fcb8-7
0.368
THO-SYG-cc9e9a11-8
0.360
CHA-KIN-ceadbd93-6
0.357
MAT-POS-590ac91e-9
0.356
MAT-POS-590ac91e-24
0.347
MAT-POS-590ac91e-15
0.342
THO-SYG-cc9e9a11-7
0.337
PET-SGC-c429dc17-1
0.333
CES-WAB-18e74d70-1
0.333
JOH-IMS-d6628593-3
0.333
MAT-POS-590ac91e-29
0.329
MAT-POS-590ac91e-7
0.320
DAR-DIA-03336633-5
0.315
MAK-UNK-f2409524-15
0.315
MAK-UNK-f2409524-2
0.315
MAT-POS-590ac91e-10
0.312
JAG-UCB-a3ef7265-23
0.310
DAR-DIA-03336633-7
0.309
MAK-UNK-f2409524-27
0.307
SIM-DEM-2d7ee9fd-1
0.303
MAK-UNK-f2409524-1
0.303
MAK-UNK-f2409524-26
0.303
MAK-UNK-f2409524-31
0.301
WIL-UNI-5578df48-11
0.300
MAK-UNK-f2409524-32
0.299
EDG-MED-0da5ad92-4
0.299
ALE-HEI-f28a35b5-6
0.299
TRY-UNI-714a760b-10
0.299
JOH-IMS-d6628593-1
0.299
MAK-UNK-f2409524-28
0.298
MAK-UNK-f2409524-33
0.298
HAN-NEW-5f56c3bc-3
0.298
DOU-UNK-b5326f8f-18
0.298
DAR-DIA-03336633-1
0.298
MAT-POS-590ac91e-4
0.295
DAR-DIA-0cde14eb-61
0.294
DAR-DIA-0cde14eb-64
0.294
SAD-SAT-24589cd1-8
0.294
DAR-DIA-03336633-6
0.293
MAK-UNK-f203cb68-2
0.292
TRY-UNI-2eddb1ff-2
0.291
MAT-POS-590ac91e-21
0.291
EDG-MED-0da5ad92-8
0.291
DAR-DIA-0cde14eb-62
0.291
DAR-DIA-03336633-9
0.290
MAK-UNK-6ca90168-26
0.290
MAT-POS-e501d84c-1
0.289
MAK-UNK-7264f48c-2
0.289
EDJ-MED-e58735b6-2
0.287
EDJ-MED-3c65e9ce-4
0.287
BEN-DND-6de5dfa0-19
0.287
DAR-DIA-0cde14eb-4
0.287
MAK-UNK-f2409524-21
0.287
MAK-UNK-f2409524-24
0.287
DAR-DIA-23e5a6a0-29
0.287
MAK-UNK-f2409524-30
0.287
MED-UNK-e6e8ef8a-6
0.286
MAT-POS-590ac91e-5
0.286
SAM-UNK-2684b532-9
0.286
BEN-DND-6de5dfa0-14
0.286
EDJ-MED-3c65e9ce-2
0.286
MAK-UNK-f203cb68-4
0.284
WIL-MOD-03b86a88-3
0.284
WAR-XCH-e55cba98-11
0.284
CHR-SOS-59746812-2
0.284
ALE-HEI-f28a35b5-12
0.284
ALP-POS-95b75b4d-5
0.282
MAT-POS-bb423b95-4
0.282
BEN-DND-6de5dfa0-15
0.282
RAL-THA-2d450e86-34
0.282
MAT-POS-590ac91e-23
0.282
MAT-POS-590ac91e-22
0.282
MAK-UNK-f2409524-23
0.281
HAR-NEW-ca1d46ce-2
0.281
DAR-DIA-23e5a6a0-23
0.281
RIT-AID-b8bd8251-1
0.281
ANU-UNK-2781581f-2
0.281
DAR-DIA-0cde14eb-74
0.281
ANN-UNI-98d2bf15-3
0.280
CHR-SOS-59746812-6
0.280
JOH-UNI-abfda500-5
0.280
EDG-MED-0da5ad92-9
0.280
MAK-UNK-30aad1f1-4
0.280
CHR-SOS-e960e883-6
0.280
DAR-DIA-0cde14eb-1
0.279
ALP-POS-95b75b4d-4
0.279
SAM-UNK-2684b532-13
0.278
ALP-POS-95b75b4d-8
0.278
EDJ-MED-c9f55a56-1
0.278
ASH-SAT-43770c7d-9
0.278
CHA-KIN-6d173bb5-2
0.277