Molecular Properties | |
SMILES: | Cc1ccncc1CC(=O)N(Cc1cccc(Cl)c1)c1ccc(N(C)C)cc1 |
MW: | 393.16 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 36.44 |
cLogP: | 4.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-6d04362c-2
ALP-POS-75715966-2
0.598
ALP-POS-75715966-3
0.538
CHO-MSK-00c5269a-3
0.473
ALP-POS-bad7201a-15
0.473
ALP-POS-6d04362c-2
0.473
JUL-TUD-06b2044f-43
0.472
RUT-UNI-630c5802-4
0.449
PET-UNK-55f647aa-3
0.432
RUT-UNI-630c5802-11
0.431
RUT-UNI-630c5802-7
0.426
JAN-GHE-83b26c96-15
0.417
EDG-MED-0da5ad92-1
0.417
MAT-POS-6c284e65-1
0.416
EDJ-MED-49816e9b-1
0.410
PET-UNK-bbe8d7ff-1
0.404
PET-UNK-bbe8d7ff-2
0.404
ALP-POS-c3a96089-4
0.404
MAT-POS-6c284e65-2
0.404
BAR-COM-ebf5acce-1
0.402
JOH-UNI-a38a7bdd-4
0.400
SAD-SAT-7d5528d9-18
0.396
BAR-COM-ebf5acce-6
0.394
TRY-UNI-714a760b-6
0.393
ALP-POS-f13221e1-4
0.391
RUT-UNI-630c5802-15
0.390
PET-UNK-1901c25b-1
0.388
BAR-COM-ebf5acce-3
0.387
JAN-GHE-d851b096-1
0.387
BAR-COM-ebf5acce-10
0.385
DAR-DIA-076fb6ea-2
0.385
DAR-DIA-076fb6ea-16
0.385
CHO-MSK-00c5269a-1
0.384
BAR-COM-ebf5acce-15
0.383
ALP-POS-b3306dea-1
0.382
JAN-GHE-83b26c96-16
0.379
JOH-UNI-a38a7bdd-9
0.379
BAR-COM-ebf5acce-9
0.379
BAR-COM-ebf5acce-14
0.378
ALP-POS-75715966-5
0.373
JOH-UNI-a38a7bdd-3
0.370
SAD-SAT-7d5528d9-17
0.370
DAR-DIA-56cf811e-2
0.370
DAR-DIA-076fb6ea-6
0.368
JOH-UNI-a38a7bdd-8
0.364
ALP-POS-75715966-1
0.362
EDG-MED-0da5ad92-20
0.361
EDG-MED-0da5ad92-6
0.360
BAR-COM-ebf5acce-5
0.360
BAR-COM-ebf5acce-13
0.360
CHO-MSK-00c5269a-2
0.359
SAD-SAT-7d5528d9-7
0.357
BAR-COM-ebf5acce-7
0.356
BAR-COM-ebf5acce-12
0.356
EDG-MED-0da5ad92-3
0.356
DAR-DIA-076fb6ea-7
0.354
DAR-DIA-53551c05-3
0.354
DAR-DIA-076fb6ea-13
0.354
BAR-COM-ebf5acce-11
0.353
MAT-POS-c0143b99-1
0.349
BAR-COM-ebf5acce-2
0.347
DAR-DIA-093892e4-11
0.346
DAR-DIA-56cf811e-4
0.343
DAR-DIA-56cf811e-6
0.343
BAR-COM-ebf5acce-4
0.343
EDG-MED-0da5ad92-19
0.341
DAR-DIA-093892e4-7
0.340
DAR-DIA-076fb6ea-4
0.340
DAR-DIA-093892e4-12
0.340
CHO-MSK-00c5269a-5
0.339
PET-UNK-b75fdf9f-3
0.337
NAU-LAT-3f5f3993-3
0.337
MIC-UNK-d36ab305-6
0.337
JOH-UNI-a38a7bdd-7
0.337
ALP-POS-c3a96089-3
0.336
DAR-DIA-6a49afbe-4
0.333
DAR-DIA-093892e4-9
0.333
BAR-COM-ebf5acce-8
0.333
DAR-DIA-093892e4-5
0.333
EDG-MED-0da5ad92-5
0.330
JIN-POS-6dc588a4-3
0.330
PET-UNK-e8c7a26f-2
0.330
PET-UNK-8df914d1-3
0.330
CHO-MSK-00c5269a-4
0.327
DAR-DIA-076fb6ea-10
0.327
VLA-UCB-05e51b3f-3
0.327
SAD-SAT-7d5528d9-4
0.327
MAT-POS-90fd5f68-7
0.327
NAU-LAT-a5c7d7cb-4
0.324
JAN-GHE-83b26c96-10
0.323
JAN-GHE-83b26c96-17
0.322
DAR-DIA-076fb6ea-14
0.321
DAR-DIA-093892e4-1
0.321
RIT-AID-a492ba81-1
0.321
MIC-UNK-67d4a29a-3
0.320
TRY-UNI-2eddb1ff-5
0.319
TRY-UNI-2eddb1ff-4
0.319
TRY-UNI-714a760b-18
0.319
JAN-GHE-83b26c96-4
0.319
JAN-GHE-83b26c96-5
0.319
RUB-POS-1325a9ea-3
0.316