Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2cc(Cl)cc(C3CC3)c2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 459.18 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 54.26 |
cLogP: | 5.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-6d04362c-2
DAR-DIA-093892e4-4
0.778
DAR-DIA-093892e4-7
0.771
DAR-DIA-093892e4-3
0.714
DAR-DIA-093892e4-1
0.707
DAR-DIA-093892e4-6
0.696
DAR-DIA-093892e4-10
0.691
CHO-MSK-00c5269a-3
0.685
ALP-POS-6d04362c-2
0.685
ALP-POS-bad7201a-15
0.685
DAR-DIA-093892e4-8
0.674
DAR-DIA-093892e4-12
0.649
ALP-POS-6d04362c-1
0.644
ALP-POS-d2866bdf-1
0.626
DAR-DIA-093892e4-5
0.594
DAR-DIA-093892e4-9
0.586
CHO-MSK-00c5269a-1
0.562
CHO-MSK-00c5269a-2
0.561
PET-UNK-1901c25b-3
0.558
ALP-POS-87c86d55-1
0.558
PET-UNK-7374c256-2
0.558
PET-UNK-b75fdf9f-1
0.553
DAR-DIA-093892e4-11
0.545
ALP-POS-75715966-5
0.530
RUT-UNI-630c5802-26
0.530
MAT-POS-06036648-1
0.521
ALP-POS-75715966-1
0.515
CHO-MSK-00c5269a-4
0.514
CHO-MSK-00c5269a-5
0.514
ALP-POS-bad7201a-5
0.510
PET-UNK-1901c25b-2
0.505
ALP-POS-c59291d4-4
0.500
MAT-POS-06036648-2
0.500
DAR-DIA-667e571f-2
0.495
RUT-UNI-630c5802-27
0.490
OLG-UNK-911c2067-1
0.490
RAL-THA-4a5dabff-1
0.490
EDJ-MED-06d94977-2
0.489
ALP-POS-c0c213c9-6
0.485
RUT-UNI-630c5802-24
0.485
ALP-POS-c59291d4-3
0.481
ALP-POS-c59291d4-1
0.480
ALP-POS-bad7201a-14
0.480
RAL-THA-4a5dabff-2
0.476
ALP-POS-6d04362c-5
0.476
ROB-IMP-e811baff-1
0.472
MAD-UNK-84a4f939-1
0.471
MAD-UNK-b1ea4171-1
0.471
ALP-POS-6d04362c-4
0.467
ALP-POS-7c842ab8-1
0.467
ALP-POS-6d04362c-3
0.467
ALP-POS-c59291d4-2
0.467
VLA-UCB-34f3ed0c-2
0.462
RUT-UNI-630c5802-25
0.452
MAT-POS-ffe83904-1
0.440
ALP-POS-c0c213c9-13
0.438
RUT-UNI-630c5802-1
0.438
RAL-THA-4a5dabff-3
0.437
DAR-DIA-667e571f-7
0.436
RUT-UNI-630c5802-5
0.434
PET-UNK-b75fdf9f-2
0.433
RUT-UNI-630c5802-9
0.426
MAT-POS-06036648-5
0.423
RAL-THA-4a5dabff-8
0.420
MAR-LAB-ca4662a6-7
0.418
ALP-POS-c0c213c9-18
0.417
ALP-POS-87c86d55-2
0.414
DAR-DIA-667e571f-4
0.412
DAR-DIA-667e571f-3
0.412
UNK-UNK-2ede4078-94
0.410
MAT-POS-06036648-6
0.409
RAL-THA-4a5dabff-5
0.398
UNK-UNK-2ede4078-29
0.397
MAT-POS-06036648-3
0.396
RUT-UNI-630c5802-13
0.393
EDJ-MED-06d94977-1
0.392
MAT-POS-3b92565d-13
0.390
RUT-UNI-630c5802-20
0.389
RUT-UNI-630c5802-21
0.389
DAR-DIA-667e571f-5
0.389
ALP-POS-c0c213c9-1
0.387
ALP-POS-c0c213c9-15
0.385
MAT-POS-06036648-4
0.385
MAT-POS-06036648-9
0.385
ALP-POS-8ed8d9ec-7
0.383
RUT-UNI-630c5802-18
0.383
RUT-UNI-630c5802-17
0.383
PET-UNK-7374c256-1
0.383
WIL-UNI-2e73223c-2
0.383
RUT-UNI-630c5802-22
0.382
DAR-DIA-667e571f-6
0.381
VLA-UCB-50c39ae8-5
0.380
VLA-UCB-05e51b3f-8
0.380
ANT-DIA-62e4526e-1
0.379
ALP-POS-c0c213c9-3
0.377
HOL-KAN-828c7b64-1
0.375
HOL-KAN-47917554-1
0.374
PET-UNK-b75fdf9f-3
0.373
MAR-LAB-ff9967db-30
0.372
AAR-POS-8a4e0f60-8
0.372
UNK-UNK-2ede4078-81
0.371