Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2cccc(C3CC3)c2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 425.22 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 54.26 |
cLogP: | 4.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-6d04362c-2
DAR-DIA-093892e4-8
0.927
CHO-MSK-00c5269a-3
0.713
ALP-POS-6d04362c-2
0.713
ALP-POS-bad7201a-15
0.713
DAR-DIA-093892e4-4
0.710
DAR-DIA-093892e4-2
0.707
DAR-DIA-093892e4-5
0.689
DAR-DIA-093892e4-9
0.677
ALP-POS-6d04362c-1
0.671
DAR-DIA-093892e4-12
0.656
DAR-DIA-093892e4-7
0.640
ALP-POS-d2866bdf-1
0.633
DAR-DIA-093892e4-3
0.598
CHO-MSK-00c5269a-1
0.585
CHO-MSK-00c5269a-2
0.583
DAR-DIA-093892e4-6
0.582
PET-UNK-7374c256-2
0.581
PET-UNK-1901c25b-3
0.581
DAR-DIA-093892e4-10
0.580
DAR-DIA-093892e4-11
0.567
ALP-POS-87c86d55-1
0.564
ALP-POS-75715966-5
0.551
CHO-MSK-00c5269a-5
0.534
CHO-MSK-00c5269a-4
0.534
RUT-UNI-630c5802-26
0.520
ALP-POS-75715966-1
0.520
ALP-POS-bad7201a-5
0.515
PET-UNK-b75fdf9f-1
0.510
PET-UNK-1901c25b-2
0.510
RUT-UNI-630c5802-27
0.510
ALP-POS-c59291d4-4
0.505
ALP-POS-bad7201a-14
0.500
ALP-POS-6d04362c-5
0.495
RAL-THA-4a5dabff-2
0.495
MAT-POS-06036648-1
0.495
RAL-THA-4a5dabff-1
0.495
EDJ-MED-06d94977-2
0.495
ALP-POS-c0c213c9-6
0.490
RUT-UNI-630c5802-24
0.490
ALP-POS-c59291d4-3
0.486
ALP-POS-c59291d4-1
0.485
ROB-IMP-e811baff-1
0.476
MAD-UNK-b1ea4171-1
0.476
MAD-UNK-84a4f939-1
0.476
ALP-POS-6d04362c-3
0.472
ALP-POS-c59291d4-2
0.472
ALP-POS-7c842ab8-1
0.472
ALP-POS-6d04362c-4
0.472
RUT-UNI-630c5802-25
0.469
OLG-UNK-911c2067-1
0.465
MAT-POS-06036648-2
0.448
DAR-DIA-667e571f-2
0.447
MAT-POS-ffe83904-1
0.443
RUT-UNI-630c5802-1
0.441
RAL-THA-4a5dabff-3
0.441
VLA-UCB-34f3ed0c-2
0.438
RUT-UNI-630c5802-5
0.438
RAL-THA-4a5dabff-8
0.436
RUT-UNI-630c5802-9
0.430
UNK-UNK-2ede4078-94
0.429
ALP-POS-c0c213c9-13
0.429
PET-UNK-b75fdf9f-2
0.423
MAR-LAB-ca4662a6-7
0.422
ALP-POS-c0c213c9-18
0.421
ALP-POS-87c86d55-2
0.418
UNK-UNK-2ede4078-29
0.412
AAR-POS-8a4e0f60-1
0.407
ALP-POS-c0c213c9-15
0.402
RAL-THA-4a5dabff-5
0.402
MAT-POS-06036648-5
0.400
AAR-POS-8a4e0f60-8
0.400
RUT-UNI-630c5802-13
0.397
EDJ-MED-06d94977-1
0.396
RUT-UNI-630c5802-21
0.393
DAR-DIA-667e571f-7
0.392
ALP-POS-8ed8d9ec-7
0.387
RUT-UNI-630c5802-17
0.387
RUT-UNI-630c5802-18
0.387
PET-UNK-7374c256-1
0.387
WIL-UNI-2e73223c-2
0.386
RUT-UNI-630c5802-22
0.385
RUT-UNI-630c5802-19
0.383
ANT-DIA-62e4526e-1
0.383
ALP-POS-c0c213c9-3
0.381
RUT-UNI-630c5802-20
0.380
ALP-POS-c0c213c9-1
0.378
HOL-KAN-828c7b64-1
0.378
PET-UNK-b75fdf9f-3
0.376
MAT-POS-06036648-3
0.375
UNK-UNK-2ede4078-8
0.374
AAR-POS-8a4e0f60-7
0.373
NAU-LAT-3f5f3993-4
0.371
DAR-DIA-667e571f-3
0.369
DAR-DIA-667e571f-4
0.368
MAT-POS-3b92565d-13
0.366
MAT-POS-06036648-6
0.363
UNK-UNK-2ede4078-81
0.362
MAR-LAB-ff9967db-38
0.360
MAT-POS-c79fcd02-1
0.357
RUT-UNI-630c5802-23
0.354