Molecular Properties | |
SMILES: | CN(C)c1ccc(N(C(=O)Cc2cncc3ccccc23)c2cccc(Cl)c2)cc1 |
MW: | 415.15 |
Fraction sp3: | 0.12 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 36.44 |
cLogP: | 5.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-d2866bdf-1
MIC-UNK-d36ab305-3
0.775
ALP-POS-75715966-2
0.596
MAK-UNK-b7886382-3
0.560
MIC-UNK-d36ab305-5
0.557
FRA-DIA-13af2da5-1
0.557
MAK-UNK-b7886382-4
0.529
MAT-POS-6c284e65-1
0.521
MAT-POS-173a45da-1
0.511
NAU-LAT-a5c7d7cb-4
0.511
PET-UNK-1901c25b-1
0.479
MAT-POS-6c284e65-2
0.475
ALP-POS-c3a96089-4
0.475
MAK-UNK-b7886382-5
0.474
DAR-DIA-6a49afbe-1
0.465
PET-UNK-8922bd3c-1
0.460
DAR-DIA-6a49afbe-4
0.459
ALP-POS-7c6e02c7-3
0.456
ALP-POS-b3306dea-1
0.455
ALP-POS-7c6e02c7-1
0.455
MIC-UNK-d36ab305-2
0.433
DAR-DIA-6a49afbe-5
0.433
NAU-LAT-a5c7d7cb-5
0.432
MAT-POS-06036648-1
0.432
ALP-POS-c3a96089-3
0.429
PET-UNK-55f647aa-1
0.426
ALP-POS-64a710fa-2
0.417
PET-UNK-55f647aa-2
0.416
NAU-LAT-a5c7d7cb-8
0.411
DAR-DIA-6a49afbe-3
0.410
ALP-POS-25b4df59-2
0.408
DAR-DIA-6a49afbe-2
0.404
DAR-DIA-6a49afbe-8
0.402
DAR-DIA-6a49afbe-7
0.402
MIC-UNK-d36ab305-4
0.396
ALP-POS-c3a96089-1
0.394
ALP-POS-25b4df59-1
0.394
DAR-DIA-6a49afbe-6
0.393
MIC-UNK-a28eba03-2
0.391
DAR-DIA-6a49afbe-9
0.389
NAU-LAT-2fed8305-8
0.389
MAT-POS-bb423b95-7
0.387
MIC-UNK-cdc2493e-19
0.386
DAR-DIA-6a49afbe-11
0.382
JOH-UNI-ea1df7a8-1
0.376
DAR-DIA-6a508060-1
0.373
DAR-DIA-23aa0b97-20
0.372
MIC-UNK-cdc2493e-18
0.371
DAR-DIA-6a49afbe-12
0.370
MIC-UNK-cdc2493e-17
0.369
MIC-UNK-a28eba03-4
0.367
ALP-POS-7c6e02c7-2
0.366
MIC-UNK-a28eba03-3
0.366
MIC-UNK-bcd487e9-2
0.365
VLA-UCB-05e51b3f-17
0.365
PET-UNK-12d8d43f-1
0.365
MIC-UNK-cdc2493e-6
0.363
ALP-POS-64a710fa-1
0.362
DAR-DIA-6a49afbe-10
0.362
MIC-UNK-cdc2493e-24
0.362
MIC-UNK-bcd487e9-7
0.362
PET-UNK-a17c93d1-1
0.361
MIC-UNK-cdc2493e-11
0.359
MIC-UNK-bcd487e9-3
0.359
ALP-POS-c3a96089-2
0.359
PET-UNK-d899bab6-1
0.357
MAT-POS-90fd5f68-25
0.357
MIC-UNK-bcd487e9-1
0.356
VLA-UCB-34f3ed0c-6
0.355
MIC-UNK-cdc2493e-21
0.355
DAR-DIA-23aa0b97-19
0.354
DAR-DIA-2964957d-9
0.354
JOH-UNI-50ce7ec3-2
0.354
MIC-UNK-cdc2493e-4
0.352
MIC-UNK-cdc2493e-5
0.352
MIC-UNK-bcd487e9-10
0.352
MIC-UNK-cdc2493e-12
0.352
MIC-UNK-c66144cb-6
0.352
VLA-UCB-05e51b3f-15
0.351
PET-UNK-6c2be958-1
0.351
VLA-UCB-05e51b3f-16
0.350
PET-UNK-12d8d43f-2
0.350
DAR-DIA-076fb6ea-1
0.350
PET-UNK-a692de38-1
0.350
DAR-DIA-53551c05-12
0.350
EDJ-MED-c314995a-1
0.349
MIC-UNK-cdc2493e-16
0.349
MIC-UNK-cdc2493e-20
0.349
VLA-UCB-05e51b3f-14
0.349
MAT-POS-6344a35d-1
0.349
JUL-TUD-06b2044f-69
0.349
MAK-UNK-b7886382-1
0.349
MIC-UNK-a28eba03-1
0.347
MIC-UNK-cdc2493e-3
0.346
MIC-UNK-bcd487e9-5
0.346
MIC-UNK-cdc2493e-23
0.346
MIC-UNK-bcd487e9-6
0.346
MIC-UNK-c66144cb-5
0.346
MIC-UNK-bcd487e9-9
0.346
MIC-UNK-bcd487e9-4
0.346
DAR-DIA-076fb6ea-11
0.346