Molecular Properties | |
SMILES: | CC1(C)CCN(C(=O)Cc2cncc3ccccc23)CC1 |
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-a28eba03-3
0.697
MIC-UNK-a28eba03-2
0.683
MIC-UNK-a28eba03-1
0.614
JUL-TUD-06b2044f-52
0.488
MIC-UNK-460e637d-2
0.483
MIC-UNK-460e637d-1
0.482
MIC-UNK-460e637d-3
0.461
DAR-DIA-23aa0b97-20
0.451
UNK-UNK-2ede4078-90
0.443
JOH-UNI-ea1df7a8-1
0.442
NAU-LAT-a5c7d7cb-5
0.424
MAK-UNK-b7886382-3
0.415
DAR-DIA-6a49afbe-9
0.410
NAU-LAT-2fed8305-8
0.410
DAR-DIA-6a49afbe-8
0.407
DAR-DIA-6a49afbe-4
0.407
DAR-DIA-6a49afbe-1
0.405
DAR-DIA-6a508060-1
0.404
MAK-UNK-b7886382-4
0.402
PET-UNK-8922bd3c-1
0.400
DAR-DIA-6a49afbe-2
0.393
BEN-DND-6de5dfa0-11
0.392
ALP-POS-6747fa38-1
0.392
NIR-THE-d08c3b48-1
0.392
VLA-UCB-05e51b3f-1
0.392
NAU-LAT-a5c7d7cb-1
0.392
DAR-DIA-6a49afbe-10
0.391
ALP-POS-64a710fa-2
0.391
DAR-DIA-6a49afbe-7
0.390
MAK-UNK-b7886382-5
0.389
ALP-POS-c3a96089-2
0.389
DAR-DIA-23aa0b97-19
0.386
DAR-DIA-6a49afbe-3
0.385
ERI-UCB-ce40166b-1
0.385
ALP-POS-c3a96089-1
0.382
DAR-DIA-6a49afbe-12
0.371
DAR-DIA-6a49afbe-11
0.370
ERI-UCB-ce40166b-2
0.368
MIC-UNK-d36ab305-6
0.367
MIC-UNK-5a93dd5f-10
0.367
NIR-THE-590dedc7-1
0.367
MIC-UNK-6ab519a7-1
0.367
NAU-LAT-a5c7d7cb-2
0.367
ALP-POS-25b4df59-2
0.367
ALP-POS-25b4df59-1
0.367
MAT-POS-173a45da-1
0.366
ERI-UCB-ce40166b-5
0.365
PET-UNK-1901c25b-1
0.363
ALP-POS-64a710fa-1
0.362
PET-UNK-55f647aa-2
0.362
ERI-UCB-ce40166b-9
0.361
PET-UNK-55f647aa-1
0.358
RAL-THA-2d450e86-8
0.357
DAR-DIA-0cde14eb-46
0.356
DAR-DIA-53551c05-6
0.354
DAR-DIA-6a49afbe-5
0.354
ERI-UCB-ce40166b-6
0.354
NAU-LAT-2fed8305-4
0.353
DAR-DIA-0cde14eb-55
0.352
ERI-UCB-ce40166b-4
0.352
NAU-LAT-a5c7d7cb-4
0.351
ALP-POS-75715966-2
0.351
MIC-UNK-d36ab305-3
0.351
MAT-POS-6c284e65-1
0.351
ERI-UCB-ce40166b-10
0.350
ALP-POS-7c6e02c7-1
0.344
ALP-POS-b3306dea-1
0.344
JOH-UNI-6e27fddc-8
0.343
MAK-UNK-b7886382-2
0.343
JOH-UNI-6e27fddc-9
0.343
DAR-DIA-6a49afbe-6
0.343
RAL-THA-2d450e86-3
0.342
DAR-DIA-0cde14eb-48
0.341
ERI-UCB-ce40166b-8
0.340
ALP-POS-c3a96089-4
0.340
MAT-POS-6c284e65-2
0.340
LON-WEI-af038623-3
0.338
RAL-THA-2d450e86-1
0.338
RAL-THA-2d450e86-38
0.338
RAL-THA-2d450e86-36
0.338
RAL-THA-2d450e86-34
0.337
NAU-LAT-2fed8305-3
0.337
MIC-UNK-5a93dd5f-4
0.337
ALP-POS-7c6e02c7-3
0.337
ALP-POS-c3a96089-3
0.337
JUL-TUD-06b2044f-53
0.337
MAK-UNK-919546f0-4
0.333
MIC-UNK-5a93dd5f-8
0.333
MAR-UCB-f313ec4d-6
0.333
ERI-UCB-ce40166b-3
0.333
MAT-POS-6344a35d-1
0.333
MAK-UNK-b7886382-1
0.333
DAR-DIA-0cde14eb-60
0.333
EDJ-MED-cf4b0d25-1
0.333
KAD-UNI-8a629cb0-27
0.330
DAR-DIA-ecdbc7dd-18
0.330
MAT-POS-8e4737f4-1
0.330
DAR-DIA-6a508060-10
0.330
EDJ-MED-e4b030d8-13
0.330
DAR-DIA-0d514e7d-30
0.330