Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2cc(Cl)cc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 453.11 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 54.26 |
cLogP: | 5.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-6d04362c-2
DAR-DIA-093892e4-3
0.790
DAR-DIA-093892e4-6
0.790
CHO-MSK-00c5269a-3
0.782
ALP-POS-bad7201a-15
0.782
ALP-POS-6d04362c-2
0.782
DAR-DIA-093892e4-2
0.771
DAR-DIA-093892e4-10
0.762
ALP-POS-6d04362c-1
0.737
ALP-POS-d2866bdf-1
0.691
DAR-DIA-093892e4-5
0.671
CHO-MSK-00c5269a-1
0.655
DAR-DIA-093892e4-1
0.640
DAR-DIA-093892e4-9
0.640
DAR-DIA-093892e4-4
0.637
PET-UNK-7374c256-2
0.631
PET-UNK-1901c25b-3
0.631
ALP-POS-87c86d55-1
0.631
DAR-DIA-093892e4-8
0.626
CHO-MSK-00c5269a-2
0.614
PET-UNK-b75fdf9f-1
0.607
DAR-DIA-093892e4-11
0.596
ALP-POS-75715966-5
0.596
MAT-POS-06036648-1
0.588
DAR-DIA-093892e4-12
0.582
RUT-UNI-630c5802-26
0.578
ALP-POS-75715966-1
0.576
CHO-MSK-00c5269a-4
0.558
CHO-MSK-00c5269a-5
0.558
EDJ-MED-06d94977-2
0.554
ALP-POS-c59291d4-4
0.544
MAT-POS-06036648-2
0.543
ALP-POS-bad7201a-5
0.538
ALP-POS-bad7201a-14
0.538
RAL-THA-4a5dabff-1
0.535
OLG-UNK-911c2067-1
0.533
PET-UNK-1901c25b-2
0.533
MAD-UNK-84a4f939-1
0.527
MAD-UNK-b1ea4171-1
0.527
RUT-UNI-630c5802-24
0.527
ALP-POS-c0c213c9-6
0.527
ALP-POS-c59291d4-1
0.522
RAL-THA-4a5dabff-2
0.516
ALP-POS-6d04362c-5
0.516
RUT-UNI-630c5802-27
0.516
ROB-IMP-e811baff-1
0.510
ALP-POS-7c842ab8-1
0.505
ALP-POS-c59291d4-2
0.505
DAR-DIA-667e571f-2
0.490
ALP-POS-6d04362c-4
0.490
ALP-POS-6d04362c-3
0.490
RUT-UNI-630c5802-5
0.480
ALP-POS-c59291d4-3
0.475
MAR-LAB-ca4662a6-7
0.475
RAL-THA-4a5dabff-3
0.473
MAT-POS-06036648-5
0.473
RUT-UNI-630c5802-25
0.472
RUT-UNI-630c5802-9
0.471
RUT-UNI-630c5802-1
0.471
VLA-UCB-34f3ed0c-2
0.469
ALP-POS-c0c213c9-18
0.464
UNK-UNK-2ede4078-94
0.461
ALP-POS-87c86d55-2
0.460
MAT-POS-ffe83904-1
0.458
PET-UNK-b75fdf9f-2
0.453
RAL-THA-4a5dabff-8
0.451
RAL-THA-4a5dabff-5
0.443
MAT-POS-06036648-3
0.440
MAT-POS-06036648-6
0.440
EDJ-MED-06d94977-1
0.440
RUT-UNI-630c5802-13
0.434
ALP-POS-c0c213c9-15
0.429
DAR-DIA-667e571f-7
0.427
WIL-UNI-2e73223c-2
0.423
MAT-POS-3b92565d-13
0.422
RUT-UNI-630c5802-21
0.418
MAT-POS-06036648-9
0.415
ALP-POS-8ed8d9ec-7
0.412
PET-UNK-7374c256-1
0.412
RUT-UNI-630c5802-17
0.412
RUT-UNI-630c5802-18
0.412
MAR-LAB-ff9967db-30
0.412
MAT-POS-06036648-4
0.411
UNK-UNK-2ede4078-29
0.411
HOL-KAN-47917554-1
0.411
MAT-POS-bfb445d4-1
0.404
BEN-DND-02317c5c-12
0.404
BEN-DND-61647d40-12
0.404
MAT-POS-3b92565d-14
0.404
RUT-UNI-630c5802-20
0.404
ALP-POS-c0c213c9-3
0.404
PET-UNK-b75fdf9f-3
0.402
DAR-DIA-667e571f-4
0.402
DAR-DIA-667e571f-3
0.402
UNK-UNK-2ede4078-81
0.400
HOL-KAN-828c7b64-1
0.400
AAR-POS-8a4e0f60-8
0.398
UNK-UNK-2ede4078-8
0.396
AAR-POS-8a4e0f60-7
0.396
RUT-UNI-630c5802-22
0.396
RUT-UNI-630c5802-19
0.394