Molecular Properties | |
SMILES: | N#CC1(CC(=O)Nc2cnccc2CO)CCCCC1 |
MW: | 273.336 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 86.01 |
cLogP: | 2.37658 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2635303491 |
MAT-POS-590ac91e-15
0.591
CHA-KIN-ceadbd93-4
0.532
CHA-KIN-ceadbd93-1
0.529
CHA-KIN-ceadbd93-2
0.479
CHA-KIN-ceadbd93-3
0.432
THO-SYG-cc9e9a11-8
0.393
THO-SYG-cc9e9a11-5
0.390
THO-SYG-cc9e9a11-6
0.386
THO-SYG-cc9e9a11-7
0.385
MAT-POS-590ac91e-6
0.384
CHR-SOS-b301fc01-3
0.369
SAD-SAT-24589cd1-8
0.361
CHA-KIN-ceadbd93-6
0.360
DAR-DIA-0cde14eb-74
0.360
CHR-SOS-54d5cf3e-1
0.360
CHR-SOS-b301fc01-2
0.357
JAG-UCB-a3ef7265-3
0.356
CHR-SOS-54d5cf3e-8
0.356
CHR-SOS-b301fc01-6
0.352
CHR-SOS-b301fc01-7
0.348
CHR-SOS-b301fc01-5
0.345
CHR-SOS-54d5cf3e-6
0.344
MED-UNK-e6e8ef8a-6
0.342
MAT-POS-590ac91e-9
0.342
LON-WEI-0a73fcb8-7
0.341
CHR-SOS-54d5cf3e-7
0.337
CHR-SOS-b301fc01-1
0.337
CHR-SOS-54d5cf3e-4
0.337
CHR-SOS-54d5cf3e-5
0.333
WAR-XCH-e55cba98-11
0.333
CHR-SOS-59746812-6
0.333
MAK-UNK-6ca90168-29
0.333
CHR-SOS-54d5cf3e-2
0.330
MAT-POS-590ac91e-25
0.329
MAK-UNK-748f8b7a-6
0.326
SAD-SAT-24589cd1-6
0.326
CHR-SOS-b301fc01-4
0.326
DAR-DIA-0cde14eb-14
0.326
CHR-SOS-59746812-5
0.325
SAD-SAT-24589cd1-5
0.325
DAR-DIA-03336633-4
0.324
CES-WAB-18e74d70-1
0.322
PET-SGC-c429dc17-1
0.322
MAR-TRE-04c86cea-81
0.321
JOH-IMS-d6628593-3
0.320
ASH-SAT-43770c7d-9
0.319
CHR-SOS-54d5cf3e-3
0.319
WAR-XCH-e55cba98-10
0.319
DAR-DIA-0cde14eb-64
0.314
MAK-UNK-6ca90168-23
0.313
CHR-SOS-e960e883-4
0.312
MAK-UNK-30aad1f1-4
0.312
DAR-DIA-0cde14eb-69
0.310
ALP-POS-95b75b4d-9
0.310
WAR-XCH-b0339bbe-9
0.309
CHR-SOS-f7373dd1-2
0.309
DAR-DIA-03336633-11
0.309
DAR-DIA-03336633-9
0.309
SIM-DEM-2d7ee9fd-1
0.308
BAR-COM-21d20d65-7
0.308
TRY-UNI-714a760b-20
0.306
CHR-SOS-e960e883-5
0.305
DAR-DIA-03336633-5
0.305
MAK-UNK-f2409524-21
0.305
CHR-SOS-59746812-2
0.305
WIL-UNI-5578df48-11
0.305
MAK-UNK-f2409524-15
0.304
MAK-UNK-f2409524-32
0.303
DAR-DIA-0cde14eb-29
0.303
HAN-NEW-5f56c3bc-3
0.302
MAK-UNK-f2409524-33
0.302
DAR-DIA-03336633-1
0.302
MAK-UNK-748f8b7a-9
0.302
CHR-SOS-f7373dd1-5
0.300
MAT-POS-590ac91e-24
0.300
MAT-POS-590ac91e-26
0.300
MAK-UNK-f2409524-23
0.299
DAR-DIA-03336633-7
0.299
JAG-UCB-a3ef7265-23
0.299
DAR-DIA-0cde14eb-61
0.299
CHR-SOS-f7373dd1-1
0.298
CHR-SOS-59746812-1
0.298
MAK-UNK-f2409524-27
0.297
ALP-POS-95b75b4d-6
0.296
MAR-TRE-f6f5f473-52
0.295
DAR-DIA-0cde14eb-2
0.295
PET-SGC-d0156db4-2
0.295
DAR-DIA-0cde14eb-62
0.295
DAR-DIA-0cde14eb-75
0.293
MAK-UNK-f2409524-1
0.293
MAK-UNK-f2409524-26
0.293
EDJ-MED-e58735b6-2
0.293
DAR-DIA-0cde14eb-3
0.292
DAR-DIA-0cde14eb-4
0.292
DAR-DIA-0cde14eb-9
0.292
SAD-SAT-24589cd1-1
0.292
SAD-SAT-24589cd1-3
0.292
MAK-UNK-f2409524-31
0.292
MAK-UNK-f2409524-30
0.291
MAK-UNK-f2409524-2
0.290