Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)Cc2cncc3ccccc23)c2ccc(N(C)C)cc2)CC1 |
MW: | 430.24 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 56.75 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
N,N-Dialkyl aniline derivatives (4)
aliphatic ketone not ring and not di-carbonyl
Ketone
anil_di_alk_D(198)
MAK-UNK-b7886382-4
0.488
MAK-UNK-b7886382-3
0.483
MAK-UNK-b7886382-5
0.453
MIC-UNK-a28eba03-2
0.451
PET-UNK-1901c25b-1
0.442
MIC-UNK-a28eba03-1
0.432
MIC-UNK-6ab519a7-1
0.432
NIR-THE-590dedc7-1
0.432
MIC-UNK-d36ab305-6
0.432
MIC-UNK-5a93dd5f-10
0.432
NAU-LAT-a5c7d7cb-2
0.432
MIC-UNK-a28eba03-4
0.424
DAR-DIA-6a49afbe-3
0.417
ALP-POS-75715966-2
0.414
MIC-UNK-a28eba03-3
0.404
DAR-DIA-6a49afbe-2
0.398
PET-UNK-55f647aa-2
0.382
DAR-DIA-6a49afbe-4
0.382
VLA-UCB-05e51b3f-1
0.382
BEN-DND-6de5dfa0-11
0.382
NIR-THE-d08c3b48-1
0.382
NAU-LAT-a5c7d7cb-1
0.382
ALP-POS-6747fa38-1
0.382
ALP-POS-64a710fa-2
0.381
DAR-DIA-23aa0b97-20
0.381
ALP-POS-7c6e02c7-1
0.379
PET-UNK-55f647aa-1
0.379
MIC-UNK-460e637d-1
0.376
ALP-POS-25b4df59-1
0.374
MAT-POS-6c284e65-1
0.371
JOH-UNI-ea1df7a8-1
0.370
DAR-DIA-6a49afbe-9
0.367
MIC-UNK-460e637d-2
0.365
DAR-DIA-6a49afbe-12
0.364
DAR-DIA-6a49afbe-6
0.363
MIC-UNK-d36ab305-4
0.363
DAR-DIA-6a49afbe-1
0.363
ALP-POS-c3a96089-1
0.360
ALP-POS-25b4df59-2
0.360
MIC-UNK-d36ab305-3
0.359
ALP-POS-7c6e02c7-3
0.358
ALP-POS-64a710fa-1
0.356
JUL-TUD-06b2044f-52
0.353
NAU-LAT-2fed8305-8
0.352
MAK-UNK-b7886382-2
0.351
DAR-DIA-6a49afbe-7
0.351
DAR-DIA-6a49afbe-8
0.351
MIC-UNK-460e637d-3
0.349
UNK-UNK-2ede4078-90
0.346
PET-UNK-8922bd3c-1
0.344
ALP-POS-c3a96089-2
0.340
DAR-DIA-6a49afbe-5
0.336
MAT-POS-6c284e65-2
0.336
ALP-POS-c3a96089-4
0.336
DAR-DIA-53551c05-6
0.333
MAT-POS-173a45da-1
0.333
NAU-LAT-a5c7d7cb-4
0.333
MIC-UNK-5a93dd5f-6
0.333
DAR-DIA-23aa0b97-19
0.333
MIC-UNK-5a93dd5f-8
0.330
ALP-POS-b3306dea-1
0.327
DAR-DIA-6a508060-1
0.327
MIC-UNK-5a93dd5f-7
0.321
MIC-UNK-5a93dd5f-9
0.321
ERI-UCB-ce40166b-4
0.320
LON-WEI-9739a092-8
0.318
MAK-UNK-b7886382-1
0.318
JOH-UNI-6e27fddc-9
0.316
MIC-UNK-5a93dd5f-5
0.312
ERI-UCB-ce40166b-2
0.312
MIC-UNK-cdc2493e-17
0.311
ERI-UCB-ce40166b-1
0.311
DAR-DIA-6a49afbe-11
0.311
WIL-LEE-23e8b574-5
0.310
ALP-POS-c3a96089-3
0.310
MIC-UNK-5a93dd5f-4
0.309
MAK-UNK-902cc841-15
0.306
DAR-DIA-6a49afbe-10
0.306
JOH-UNI-6e27fddc-8
0.304
VLA-UCB-05e51b3f-2
0.304
NAU-LAT-a5c7d7cb-3
0.304
MIC-UNK-cdc2493e-18
0.303
MAR-UCB-f313ec4d-6
0.301
ERI-UCB-ce40166b-6
0.301
JUL-TUD-06b2044f-53
0.299
ERI-UCB-ce40166b-8
0.299
ERI-UCB-ce40166b-10
0.298
MIC-UNK-d36ab305-5
0.298
FRA-DIA-13af2da5-1
0.298
JOO-IND-6372a4f3-5
0.298
DAR-DIA-5d6f1b43-20
0.297
ERI-UCB-ce40166b-5
0.297
MIC-UNK-5a93dd5f-1
0.296
NIR-WEI-75ed5c39-1
0.296
MIC-UNK-5a93dd5f-2
0.296
MAT-POS-6344a35d-1
0.295
ERI-UCB-ce40166b-9
0.295
MIC-UNK-b9827f26-2
0.294
ERI-UCB-ce40166b-3
0.294
MAK-UNK-919546f0-5
0.293