Molecular Properties | |
SMILES: | CN(CCO)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 421.526 |
Fraction sp3: | 0.23 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 74.49 |
cLogP: | 3.1547 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-d2866bdf-1
0.810
PET-UNK-b75fdf9f-1
0.762
ALP-POS-c59291d4-4
0.747
RAL-THA-4a5dabff-1
0.747
ALP-POS-bad7201a-5
0.738
PET-UNK-1901c25b-2
0.729
RUT-UNI-630c5802-27
0.724
ALP-POS-c0c213c9-6
0.721
RUT-UNI-630c5802-24
0.721
ALP-POS-c59291d4-1
0.718
ROB-IMP-e811baff-1
0.716
ALP-POS-c59291d4-2
0.708
RAL-THA-4a5dabff-2
0.690
ALP-POS-6d04362c-3
0.670
ALP-POS-6d04362c-4
0.670
ALP-POS-c59291d4-3
0.667
RAL-THA-4a5dabff-3
0.663
RUT-UNI-630c5802-1
0.660
RAL-THA-4a5dabff-8
0.621
MAT-POS-ffe83904-1
0.620
RUT-UNI-630c5802-25
0.620
PET-UNK-b75fdf9f-2
0.600
ALP-POS-6d04362c-1
0.586
DAR-DIA-093892e4-7
0.578
RUT-UNI-630c5802-21
0.576
RUT-UNI-630c5802-17
0.571
ALP-POS-bad7201a-15
0.559
ALP-POS-6d04362c-2
0.559
RUT-UNI-630c5802-20
0.559
CHO-MSK-00c5269a-3
0.559
ALP-POS-87c86d55-1
0.554
RUT-UNI-630c5802-18
0.554
RUT-UNI-630c5802-19
0.548
RUT-UNI-630c5802-22
0.547
DAR-DIA-093892e4-5
0.542
MAD-UNK-84a4f939-1
0.542
MAD-UNK-b1ea4171-1
0.542
DAR-DIA-093892e4-2
0.530
CHO-MSK-00c5269a-1
0.526
DAR-DIA-093892e4-6
0.525
DAR-DIA-093892e4-3
0.525
DAR-DIA-093892e4-10
0.525
PET-UNK-1901c25b-3
0.521
PET-UNK-7374c256-2
0.521
ALP-POS-bad7201a-14
0.521
DAR-DIA-093892e4-9
0.520
DAR-DIA-093892e4-1
0.520
DAR-DIA-093892e4-4
0.520
OLG-UNK-911c2067-1
0.516
CHO-MSK-00c5269a-2
0.510
DAR-DIA-093892e4-8
0.510
HOL-KAN-828c7b64-1
0.509
ALP-POS-8ed8d9ec-7
0.505
PET-UNK-7374c256-1
0.505
PET-UNK-b75fdf9f-3
0.500
RUT-UNI-630c5802-5
0.495
DAR-DIA-093892e4-11
0.495
ALP-POS-87c86d55-2
0.490
ALP-POS-7c842ab8-1
0.490
RUT-UNI-630c5802-23
0.490
RAL-THA-4a5dabff-5
0.490
DAR-DIA-093892e4-12
0.485
ALP-POS-6d04362c-5
0.485
ALP-POS-75715966-5
0.480
RUT-UNI-630c5802-9
0.472
CHO-MSK-00c5269a-4
0.467
CHO-MSK-00c5269a-5
0.467
ALP-POS-75715966-1
0.452
EDJ-MED-06d94977-1
0.442
MAR-LAB-ca4662a6-7
0.442
ALP-POS-c0c213c9-18
0.437
EDJ-MED-06d94977-2
0.436
RAL-THA-4a5dabff-4
0.433
ALP-POS-c0c213c9-15
0.431
RUT-UNI-630c5802-13
0.423
ALP-POS-bad7201a-9
0.422
UNK-UNK-2ede4078-94
0.417
AAR-POS-8a4e0f60-8
0.415
RAL-THA-4a5dabff-7
0.413
MAT-POS-06036648-1
0.410
RAL-THA-d07c7800-1
0.407
UNK-UNK-2ede4078-81
0.404
VLA-UCB-34f3ed0c-2
0.400
WIL-UNI-2e73223c-2
0.400
AAR-POS-8a4e0f60-1
0.396
ALP-POS-c0c213c9-3
0.394
RAL-THA-4a5dabff-6
0.394
ALP-POS-c0c213c9-5
0.392
RAL-THA-d07c7800-3
0.392
UNK-UNK-2ede4078-29
0.389
MAT-POS-06036648-5
0.388
RAL-THA-d07c7800-5
0.387
UNK-UNK-2ede4078-8
0.387
AAR-POS-8a4e0f60-7
0.387
RAL-THA-d07c7800-6
0.382
ALP-POS-c0c213c9-11
0.381
ALP-POS-c0c213c9-12
0.380
RAL-THA-d07c7800-2
0.378
HOL-KAN-47917554-1
0.378
MAT-POS-06036648-3
0.376