Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2cccc(N3CCC3)c2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 440.23 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 57.5 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-6d04362c-2
DAR-DIA-093892e4-10
0.717
ALP-POS-bad7201a-15
0.713
ALP-POS-6d04362c-2
0.713
CHO-MSK-00c5269a-3
0.713
DAR-DIA-093892e4-5
0.708
DAR-DIA-093892e4-8
0.681
DAR-DIA-093892e4-1
0.677
ALP-POS-6d04362c-1
0.671
DAR-DIA-093892e4-7
0.640
DAR-DIA-093892e4-11
0.634
ALP-POS-d2866bdf-1
0.633
CHO-MSK-00c5269a-5
0.629
DAR-DIA-093892e4-6
0.615
DAR-DIA-093892e4-3
0.598
CHO-MSK-00c5269a-4
0.596
DAR-DIA-093892e4-4
0.590
DAR-DIA-093892e4-2
0.586
CHO-MSK-00c5269a-1
0.585
CHO-MSK-00c5269a-2
0.567
PET-UNK-7374c256-2
0.564
ALP-POS-87c86d55-1
0.564
PET-UNK-1901c25b-3
0.564
ALP-POS-6d04362c-3
0.560
ALP-POS-7c842ab8-1
0.560
ALP-POS-6d04362c-5
0.557
DAR-DIA-093892e4-12
0.556
ALP-POS-75715966-5
0.551
ALP-POS-6d04362c-4
0.529
RUT-UNI-630c5802-26
0.520
ALP-POS-75715966-1
0.520
PET-UNK-b75fdf9f-1
0.510
ALP-POS-c59291d4-4
0.505
ALP-POS-bad7201a-5
0.500
ALP-POS-bad7201a-14
0.500
RUT-UNI-630c5802-27
0.495
PET-UNK-1901c25b-2
0.495
RAL-THA-4a5dabff-2
0.495
MAT-POS-06036648-1
0.495
RAL-THA-4a5dabff-1
0.495
ALP-POS-c0c213c9-6
0.490
MAD-UNK-84a4f939-1
0.490
MAD-UNK-b1ea4171-1
0.490
RUT-UNI-630c5802-24
0.490
ALP-POS-c59291d4-1
0.485
EDJ-MED-06d94977-2
0.479
ROB-IMP-e811baff-1
0.476
ALP-POS-c59291d4-2
0.472
RUT-UNI-630c5802-25
0.469
ALP-POS-c59291d4-3
0.459
OLG-UNK-911c2067-1
0.451
RUT-UNI-630c5802-5
0.450
ALP-POS-c0c213c9-18
0.448
MAT-POS-06036648-2
0.448
RUT-UNI-630c5802-1
0.441
RAL-THA-4a5dabff-3
0.441
RAL-THA-4a5dabff-8
0.436
MAT-POS-ffe83904-1
0.431
RUT-UNI-630c5802-9
0.430
UNK-UNK-2ede4078-94
0.429
VLA-UCB-34f3ed0c-2
0.425
MAR-LAB-ca4662a6-7
0.422
ALP-POS-87c86d55-2
0.418
ALP-POS-c0c213c9-15
0.415
DAR-DIA-667e571f-2
0.410
PET-UNK-b75fdf9f-2
0.410
AAR-POS-8a4e0f60-1
0.407
RAL-THA-4a5dabff-5
0.402
MAT-POS-06036648-5
0.400
UNK-UNK-2ede4078-29
0.400
RUT-UNI-630c5802-13
0.397
EDJ-MED-06d94977-1
0.396
ALP-POS-c0c213c9-3
0.393
RUT-UNI-630c5802-21
0.393
ALP-POS-8ed8d9ec-7
0.387
PET-UNK-7374c256-1
0.387
RUT-UNI-630c5802-17
0.387
RUT-UNI-630c5802-18
0.387
RUT-UNI-630c5802-22
0.385
RUT-UNI-630c5802-20
0.380
HOL-KAN-828c7b64-1
0.378
PET-UNK-b75fdf9f-3
0.376
MAT-POS-06036648-3
0.375
UNK-UNK-2ede4078-8
0.374
WIL-UNI-2e73223c-2
0.374
NAU-LAT-3f5f3993-4
0.371
RUT-UNI-630c5802-19
0.370
DAR-DIA-667e571f-7
0.369
ANT-DIA-62e4526e-1
0.368
ALP-POS-c0c213c9-13
0.368
MAT-POS-3b92565d-13
0.366
MAT-POS-06036648-6
0.363
AAR-POS-8a4e0f60-8
0.363
UNK-UNK-2ede4078-81
0.362
AAR-POS-8a4e0f60-7
0.360
MAT-POS-c79fcd02-1
0.357
HOL-KAN-47917554-1
0.355
BEN-DND-61647d40-12
0.350
BEN-DND-02317c5c-12
0.350
MAT-POS-3b92565d-14
0.350
MAT-POS-bfb445d4-1
0.350