Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2cccc(C3CCC3)c2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 439.24 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 54.26 |
cLogP: | 5.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-6d04362c-2
DAR-DIA-093892e4-1
0.927
ALP-POS-6d04362c-2
0.697
CHO-MSK-00c5269a-3
0.697
ALP-POS-bad7201a-15
0.697
DAR-DIA-093892e4-9
0.681
DAR-DIA-093892e4-5
0.674
DAR-DIA-093892e4-2
0.674
DAR-DIA-093892e4-4
0.660
ALP-POS-6d04362c-1
0.655
DAR-DIA-093892e4-7
0.626
DAR-DIA-093892e4-12
0.625
ALP-POS-d2866bdf-1
0.620
DAR-DIA-093892e4-10
0.584
CHO-MSK-00c5269a-1
0.573
DAR-DIA-093892e4-6
0.570
DAR-DIA-093892e4-3
0.570
CHO-MSK-00c5269a-2
0.556
DAR-DIA-093892e4-11
0.556
PET-UNK-7374c256-2
0.552
PET-UNK-1901c25b-3
0.552
ALP-POS-87c86d55-1
0.552
ALP-POS-75715966-5
0.540
CHO-MSK-00c5269a-5
0.538
CHO-MSK-00c5269a-4
0.524
RUT-UNI-630c5802-26
0.510
ALP-POS-75715966-1
0.510
PET-UNK-b75fdf9f-1
0.500
PET-UNK-1901c25b-2
0.500
RUT-UNI-630c5802-27
0.500
ALP-POS-c59291d4-4
0.495
ALP-POS-bad7201a-14
0.490
ALP-POS-bad7201a-5
0.490
ALP-POS-6d04362c-5
0.485
RAL-THA-4a5dabff-2
0.485
MAT-POS-06036648-1
0.485
RAL-THA-4a5dabff-1
0.485
EDJ-MED-06d94977-2
0.484
ALP-POS-c0c213c9-6
0.481
RUT-UNI-630c5802-24
0.481
ALP-POS-c59291d4-3
0.477
ALP-POS-6d04362c-3
0.477
ALP-POS-7c842ab8-1
0.477
ALP-POS-c59291d4-1
0.476
RUT-UNI-630c5802-25
0.474
ROB-IMP-e811baff-1
0.467
MAD-UNK-84a4f939-1
0.467
MAD-UNK-b1ea4171-1
0.467
ALP-POS-6d04362c-4
0.463
ALP-POS-c59291d4-2
0.463
OLG-UNK-911c2067-1
0.456
VLA-UCB-34f3ed0c-2
0.443
RUT-UNI-630c5802-1
0.434
RAL-THA-4a5dabff-3
0.433
RUT-UNI-630c5802-5
0.430
RAL-THA-4a5dabff-8
0.429
DAR-DIA-667e571f-2
0.427
MAT-POS-06036648-2
0.426
MAT-POS-ffe83904-1
0.424
RUT-UNI-630c5802-9
0.422
ALP-POS-c0c213c9-13
0.421
PET-UNK-b75fdf9f-2
0.415
MAR-LAB-ca4662a6-7
0.413
ALP-POS-c0c213c9-18
0.413
ALP-POS-87c86d55-2
0.411
UNK-UNK-2ede4078-94
0.406
RUT-UNI-630c5802-13
0.402
AAR-POS-8a4e0f60-1
0.400
RAL-THA-4a5dabff-5
0.394
ALP-POS-c0c213c9-15
0.394
UNK-UNK-2ede4078-29
0.393
MAT-POS-06036648-5
0.393
RUT-UNI-630c5802-22
0.391
EDJ-MED-06d94977-1
0.388
ALP-POS-c0c213c9-3
0.386
RUT-UNI-630c5802-21
0.385
DAR-DIA-667e571f-7
0.385
AAR-POS-8a4e0f60-8
0.381
PET-UNK-7374c256-1
0.380
ALP-POS-8ed8d9ec-7
0.380
RUT-UNI-630c5802-18
0.380
RUT-UNI-630c5802-17
0.380
ANT-DIA-62e4526e-1
0.375
RUT-UNI-630c5802-20
0.373
HOL-KAN-828c7b64-1
0.372
PET-UNK-b75fdf9f-3
0.369
MAT-POS-06036648-3
0.368
WIL-UNI-2e73223c-2
0.368
UNK-UNK-2ede4078-8
0.368
NAU-LAT-3f5f3993-4
0.364
RUT-UNI-630c5802-19
0.364
ALP-POS-c0c213c9-1
0.361
MAT-POS-3b92565d-13
0.359
UNK-UNK-2ede4078-81
0.355
MAR-LAB-ff9967db-38
0.354
AAR-POS-8a4e0f60-7
0.354
MAR-LAB-ff9967db-4
0.352
DAR-DIA-667e571f-3
0.352
DAR-DIA-667e571f-4
0.350
RUT-UNI-630c5802-23
0.348
MAT-POS-06036648-6
0.345