Molecular Properties | |
SMILES: | CN(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1 |
MW: | 405.14 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 54.26 |
cLogP: | 4.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
MAT-POS-06036648-5
0.789
MAT-POS-06036648-3
0.723
MAT-POS-06036648-2
0.699
CHO-MSK-00c5269a-3
0.624
ALP-POS-6d04362c-2
0.624
ALP-POS-bad7201a-15
0.624
DAR-DIA-667e571f-2
0.604
DAR-DIA-093892e4-7
0.588
MAT-POS-06036648-6
0.554
ALP-POS-75715966-5
0.549
EDJ-MED-06d94977-2
0.542
ALP-POS-6d04362c-1
0.541
ALP-POS-75715966-1
0.532
DAR-DIA-093892e4-3
0.532
DAR-DIA-093892e4-6
0.532
DAR-DIA-093892e4-2
0.521
CHO-MSK-00c5269a-1
0.516
DAR-DIA-093892e4-5
0.516
DAR-DIA-093892e4-10
0.515
MAT-POS-06036648-4
0.515
ALP-POS-87c86d55-1
0.511
ALP-POS-d2866bdf-1
0.511
PET-UNK-1901c25b-3
0.511
PET-UNK-7374c256-2
0.511
CHO-MSK-00c5269a-2
0.500
DAR-DIA-093892e4-1
0.495
DAR-DIA-093892e4-9
0.495
VLA-UCB-34f3ed0c-2
0.489
DAR-DIA-667e571f-3
0.486
DAR-DIA-093892e4-8
0.485
DAR-DIA-093892e4-11
0.484
MAR-LAB-ca4662a6-7
0.481
DAR-DIA-667e571f-4
0.475
DAR-DIA-093892e4-12
0.474
UNK-UNK-2ede4078-81
0.467
UNK-UNK-2ede4078-94
0.466
DAR-DIA-093892e4-4
0.465
MAT-POS-3b92565d-14
0.459
MAT-POS-bfb445d4-1
0.459
BEN-DND-61647d40-12
0.459
BEN-DND-02317c5c-12
0.459
RAL-THA-4a5dabff-2
0.458
OLG-UNK-911c2067-1
0.457
PET-UNK-b75fdf9f-1
0.457
CHO-MSK-00c5269a-4
0.455
CHO-MSK-00c5269a-5
0.455
DAR-DIA-667e571f-5
0.455
DAR-DIA-667e571f-6
0.446
EDJ-MED-06d94977-1
0.444
MAT-POS-3b92565d-13
0.443
MIC-UNK-d36ab305-6
0.432
MAR-LAB-ff9967db-30
0.430
RAL-THA-4a5dabff-5
0.418
RUT-UNI-630c5802-26
0.410
RAL-THA-4a5dabff-1
0.409
ALP-POS-c59291d4-4
0.408
RUT-UNI-630c5802-20
0.408
ALP-POS-bad7201a-5
0.404
ALP-POS-bad7201a-14
0.404
RUT-UNI-630c5802-27
0.402
PET-UNK-1901c25b-2
0.400
AAR-POS-8a4e0f60-7
0.400
ROB-IMP-e811baff-1
0.398
RUT-UNI-630c5802-24
0.396
ALP-POS-c0c213c9-6
0.396
MAD-UNK-84a4f939-1
0.396
MAD-UNK-b1ea4171-1
0.396
ALP-POS-7c842ab8-1
0.394
RUT-UNI-630c5802-21
0.394
FRA-DIA-13af2da5-1
0.392
MIC-UNK-d36ab305-5
0.392
ALP-POS-c59291d4-1
0.390
ALP-POS-c0c213c9-15
0.390
MAT-POS-06036648-9
0.389
RAL-THA-4a5dabff-3
0.388
RUT-UNI-630c5802-17
0.388
RUT-UNI-630c5802-18
0.388
RAL-THA-4a5dabff-8
0.387
ALP-POS-6d04362c-5
0.386
VLA-UCB-50c39ae8-5
0.384
VLA-UCB-05e51b3f-8
0.384
ANT-DIA-62e4526e-1
0.384
MAR-LAB-ff9967db-24
0.382
AAR-POS-8a4e0f60-1
0.382
ALP-POS-c0c213c9-18
0.382
ALP-POS-87c86d55-2
0.381
ALP-POS-c59291d4-2
0.381
DAR-DIA-667e571f-7
0.381
RUT-UNI-630c5802-5
0.376
WIL-UNI-2e73223c-2
0.374
RUT-UNI-630c5802-13
0.373
RUT-UNI-630c5802-22
0.373
NAU-LAT-3f5f3993-4
0.371
PET-UNK-b75fdf9f-2
0.370
RUT-UNI-630c5802-19
0.370
RUT-UNI-630c5802-9
0.369
ALP-POS-6d04362c-3
0.368
ALP-POS-6d04362c-4
0.368
RUT-UNI-630c5802-1
0.367
AAR-POS-8a4e0f60-8
0.362