Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2cccc(C(F)(F)F)c2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 453.18 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 54.26 |
cLogP: | 4.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-6d04362c-2
ALP-POS-bad7201a-15
0.747
CHO-MSK-00c5269a-3
0.747
ALP-POS-6d04362c-2
0.747
DAR-DIA-093892e4-6
0.716
DAR-DIA-093892e4-9
0.708
ALP-POS-6d04362c-1
0.704
DAR-DIA-093892e4-1
0.689
DAR-DIA-093892e4-8
0.674
DAR-DIA-093892e4-7
0.671
ALP-POS-d2866bdf-1
0.663
CHO-MSK-00c5269a-1
0.611
DAR-DIA-093892e4-3
0.606
DAR-DIA-093892e4-2
0.594
CHO-MSK-00c5269a-2
0.591
ALP-POS-87c86d55-1
0.589
PET-UNK-7374c256-2
0.589
PET-UNK-1901c25b-3
0.589
DAR-DIA-093892e4-10
0.588
DAR-DIA-093892e4-4
0.582
ALP-POS-75715966-5
0.574
DAR-DIA-093892e4-11
0.574
DAR-DIA-093892e4-12
0.562
ALP-POS-c0c213c9-6
0.542
RUT-UNI-630c5802-26
0.542
ALP-POS-75715966-1
0.541
CHO-MSK-00c5269a-4
0.540
CHO-MSK-00c5269a-5
0.540
PET-UNK-b75fdf9f-1
0.533
ALP-POS-c59291d4-4
0.526
ALP-POS-c59291d4-1
0.521
ALP-POS-bad7201a-5
0.521
ALP-POS-bad7201a-14
0.521
RAL-THA-4a5dabff-1
0.516
MAT-POS-06036648-1
0.516
PET-UNK-1901c25b-2
0.515
RAL-THA-4a5dabff-2
0.515
MAT-POS-ffe83904-1
0.514
MAD-UNK-b1ea4171-1
0.510
RUT-UNI-630c5802-24
0.510
MAD-UNK-84a4f939-1
0.510
EDJ-MED-06d94977-2
0.500
RUT-UNI-630c5802-27
0.500
ALP-POS-6d04362c-5
0.500
ROB-IMP-e811baff-1
0.495
ALP-POS-c59291d4-2
0.490
ALP-POS-6d04362c-3
0.476
ALP-POS-7c842ab8-1
0.476
ALP-POS-6d04362c-4
0.476
RUT-UNI-630c5802-25
0.473
OLG-UNK-911c2067-1
0.469
ALP-POS-c59291d4-3
0.462
RAL-THA-4a5dabff-3
0.459
RUT-UNI-630c5802-9
0.459
RUT-UNI-630c5802-1
0.458
RUT-UNI-630c5802-5
0.454
RAL-THA-4a5dabff-8
0.453
MAT-POS-06036648-2
0.451
UNK-UNK-2ede4078-94
0.447
MAR-LAB-ca4662a6-7
0.442
AAR-POS-8a4e0f60-7
0.441
ALP-POS-c0c213c9-18
0.437
RUT-UNI-630c5802-21
0.436
ALP-POS-87c86d55-2
0.434
ALP-POS-c0c213c9-15
0.431
RUT-UNI-630c5802-17
0.430
VLA-UCB-34f3ed0c-2
0.427
PET-UNK-b75fdf9f-2
0.426
RUT-UNI-630c5802-13
0.423
AAR-POS-8a4e0f60-1
0.423
RUT-UNI-630c5802-20
0.422
RAL-THA-4a5dabff-5
0.417
MAR-LAB-ff9967db-31
0.417
MAT-POS-06036648-5
0.416
MAR-LAB-ff9967db-12
0.413
WIL-UNI-2e73223c-2
0.413
EDJ-MED-06d94977-1
0.412
DAR-DIA-667e571f-2
0.412
HOL-KAN-828c7b64-1
0.404
RUT-UNI-630c5802-18
0.402
ALP-POS-8ed8d9ec-7
0.402
PET-UNK-7374c256-1
0.402
UNK-UNK-2ede4078-29
0.402
RUT-UNI-630c5802-22
0.400
ALP-POS-c0c213c9-3
0.394
PET-UNK-b75fdf9f-3
0.392
AAR-POS-8a4e0f60-8
0.389
MAT-POS-06036648-3
0.389
RUT-UNI-630c5802-19
0.385
HOL-KAN-47917554-1
0.378
UNK-UNK-2ede4078-81
0.376
UNK-UNK-2ede4078-8
0.375
ANT-OPE-45835252-1
0.372
DAR-DIA-667e571f-7
0.370
ANT-DIA-62e4526e-1
0.370
ALP-POS-c0c213c9-13
0.368
MAT-POS-3b92565d-13
0.367
MAR-LAB-ff9967db-40
0.364
MAR-LAB-ff9967db-30
0.364
MAT-POS-06036648-6
0.364
NAU-LAT-3f5f3993-4
0.358