Molecular Properties | |
SMILES: | CC1(C)CCCN(C(=O)Cc2cncc3ccccc23)C1 |
MW: | 282.17 |
Fraction sp3: | 0.44 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 33.2 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TIM-INF-fd8b8e92-1
MIC-UNK-a28eba03-4
0.697
MIC-UNK-a28eba03-1
0.648
MIC-UNK-a28eba03-2
0.594
MIC-UNK-460e637d-1
0.477
JUL-TUD-06b2044f-52
0.466
MIC-UNK-460e637d-3
0.457
UNK-UNK-2ede4078-90
0.456
MIC-UNK-460e637d-2
0.446
DAR-DIA-23aa0b97-20
0.427
JOH-UNI-ea1df7a8-1
0.422
MAK-UNK-b7886382-3
0.412
NAU-LAT-a5c7d7cb-5
0.404
ALP-POS-c3a96089-2
0.402
DAR-DIA-6a49afbe-2
0.391
DAR-DIA-6a49afbe-9
0.390
NAU-LAT-2fed8305-8
0.390
MAK-UNK-b7886382-5
0.387
DAR-DIA-6a49afbe-1
0.386
MAK-UNK-b7886382-4
0.384
PET-UNK-8922bd3c-1
0.381
ALP-POS-c3a96089-1
0.380
DAR-DIA-6a49afbe-4
0.375
ALP-POS-64a710fa-2
0.374
DAR-DIA-6a508060-1
0.372
DAR-DIA-6a49afbe-8
0.372
DAR-DIA-6a49afbe-7
0.372
DAR-DIA-6a49afbe-12
0.370
DAR-DIA-23aa0b97-19
0.368
ALP-POS-25b4df59-2
0.366
ALP-POS-25b4df59-1
0.366
MIC-UNK-d36ab305-6
0.366
MAT-POS-173a45da-1
0.365
PET-UNK-1901c25b-1
0.362
ALP-POS-64a710fa-1
0.361
BEN-DND-6de5dfa0-11
0.357
ALP-POS-6747fa38-1
0.357
NIR-THE-d08c3b48-1
0.357
VLA-UCB-05e51b3f-1
0.357
NAU-LAT-a5c7d7cb-1
0.357
DAR-DIA-6a49afbe-3
0.356
DAR-DIA-6a49afbe-11
0.354
ERI-UCB-ce40166b-1
0.354
ERI-UCB-ce40166b-4
0.351
MIC-UNK-d36ab305-3
0.351
ALP-POS-75715966-2
0.351
DAR-DIA-6a49afbe-10
0.347
PET-UNK-55f647aa-2
0.347
PET-UNK-55f647aa-1
0.343
MAK-UNK-b7886382-2
0.343
ERI-UCB-ce40166b-8
0.340
ERI-UCB-ce40166b-2
0.340
DAR-DIA-6a49afbe-5
0.340
DAR-DIA-53551c05-6
0.337
DAR-DIA-0cde14eb-55
0.337
MIC-UNK-5a93dd5f-10
0.337
NIR-THE-590dedc7-1
0.337
MIC-UNK-6ab519a7-1
0.337
NAU-LAT-a5c7d7cb-2
0.337
NAU-LAT-a5c7d7cb-4
0.337
MAT-POS-6c284e65-1
0.337
ERI-UCB-ce40166b-5
0.337
MAK-UNK-b7886382-1
0.333
ERI-UCB-ce40166b-9
0.333
DAR-DIA-6a49afbe-6
0.330
JOH-UNI-6e27fddc-9
0.330
ALP-POS-7c6e02c7-1
0.330
ALP-POS-b3306dea-1
0.330
DAR-DIA-0cde14eb-58
0.330
MAT-POS-6c284e65-2
0.327
ALP-POS-c3a96089-4
0.327
ERI-UCB-ce40166b-6
0.327
ERI-UCB-ce40166b-12
0.327
DAR-DIA-0cde14eb-46
0.326
RAL-THA-2d450e86-8
0.326
ALP-POS-c3a96089-3
0.324
ALP-POS-7c6e02c7-3
0.324
ERI-UCB-ce40166b-10
0.324
NAU-LAT-2fed8305-4
0.322
MAT-POS-6344a35d-1
0.320
LON-WEI-af038623-3
0.320
ERI-UCB-ce40166b-3
0.320
EDJ-MED-d203f206-9
0.319
KAD-UNI-8a629cb0-27
0.319
PET-UNK-14142a25-11
0.318
PET-UNK-14142a25-2
0.318
JOH-UNI-6e27fddc-8
0.318
MAR-UCB-f313ec4d-6
0.318
DAR-DIA-0cde14eb-56
0.316
DAR-DIA-0cde14eb-57
0.316
ALP-POS-7c6e02c7-2
0.315
DAR-DIA-fb20be43-7
0.315
MIC-UNK-d854bf4c-3
0.314
MIC-UNK-d854bf4c-1
0.314
DAR-DIA-53551c05-10
0.311
MIC-UNK-5a93dd5f-2
0.310
RAL-THA-2d450e86-3
0.310
EDJ-MED-cf4b0d25-1
0.309
DAR-DIA-0cde14eb-49
0.309
NAU-LAT-a5c7d7cb-8
0.309
NAU-LAT-2fed8305-3
0.308