Molecular Properties | |
SMILES: | COc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(N(C)C)cc2)c1 |
MW: | 449.16 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 63.49 |
cLogP: | 4.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-6d04362c-2
DAR-DIA-093892e4-7
0.790
DAR-DIA-093892e4-4
0.717
DAR-DIA-093892e4-2
0.714
DAR-DIA-093892e4-6
0.711
CHO-MSK-00c5269a-3
0.701
ALP-POS-bad7201a-15
0.701
ALP-POS-6d04362c-2
0.701
DAR-DIA-093892e4-10
0.688
ALP-POS-6d04362c-1
0.659
CHO-MSK-00c5269a-2
0.641
MAT-POS-06036648-2
0.624
ALP-POS-d2866bdf-1
0.622
DAR-DIA-093892e4-5
0.606
DAR-DIA-093892e4-9
0.598
DAR-DIA-093892e4-1
0.598
PET-UNK-1901c25b-3
0.587
PET-UNK-7374c256-2
0.587
CHO-MSK-00c5269a-1
0.574
DAR-DIA-093892e4-8
0.570
ALP-POS-87c86d55-1
0.570
ALP-POS-bad7201a-5
0.568
PET-UNK-b75fdf9f-1
0.548
DAR-DIA-093892e4-12
0.545
DAR-DIA-093892e4-11
0.541
ALP-POS-75715966-5
0.541
MAT-POS-06036648-1
0.532
RUT-UNI-630c5802-26
0.525
ALP-POS-75715966-1
0.525
MAT-POS-06036648-6
0.515
CHO-MSK-00c5269a-5
0.510
CHO-MSK-00c5269a-4
0.510
DAR-DIA-667e571f-2
0.505
RUT-UNI-630c5802-24
0.495
ALP-POS-c59291d4-4
0.495
MAT-POS-06036648-9
0.495
ALP-POS-bad7201a-14
0.490
PET-UNK-1901c25b-2
0.485
OLG-UNK-911c2067-1
0.485
RAL-THA-4a5dabff-1
0.484
EDJ-MED-06d94977-2
0.484
MAT-POS-06036648-4
0.481
MAD-UNK-84a4f939-1
0.480
ALP-POS-c0c213c9-6
0.480
MAD-UNK-b1ea4171-1
0.480
UNK-UNK-2ede4078-94
0.479
ALP-POS-c59291d4-1
0.475
RUT-UNI-630c5802-27
0.471
ALP-POS-6d04362c-5
0.471
RAL-THA-4a5dabff-2
0.471
ROB-IMP-e811baff-1
0.467
ALP-POS-7c842ab8-1
0.462
ALP-POS-c59291d4-2
0.462
MAT-POS-ffe83904-1
0.460
ALP-POS-6d04362c-3
0.449
ALP-POS-6d04362c-4
0.449
DAR-DIA-667e571f-7
0.443
MAR-LAB-ca4662a6-7
0.443
VLA-UCB-34f3ed0c-2
0.442
RUT-UNI-630c5802-5
0.441
UNK-UNK-2ede4078-29
0.441
ALP-POS-c59291d4-3
0.436
RUT-UNI-630c5802-25
0.435
RUT-UNI-630c5802-9
0.434
RUT-UNI-630c5802-1
0.432
MAT-POS-06036648-5
0.431
RAL-THA-4a5dabff-3
0.431
ALP-POS-c0c213c9-18
0.425
ALP-POS-87c86d55-2
0.422
DAR-DIA-667e571f-4
0.420
DAR-DIA-667e571f-3
0.419
RAL-THA-4a5dabff-8
0.414
PET-UNK-b75fdf9f-2
0.413
RUT-UNI-630c5802-13
0.412
MAT-POS-06036648-3
0.404
AAR-POS-8a4e0f60-7
0.402
WIL-UNI-2e73223c-2
0.402
EDJ-MED-06d94977-1
0.400
MAT-POS-c79fcd02-1
0.398
ALP-POS-c0c213c9-3
0.396
DAR-DIA-667e571f-5
0.395
RAL-THA-4a5dabff-5
0.393
ALP-POS-c0c213c9-15
0.393
DAR-DIA-667e571f-6
0.387
RUT-UNI-630c5802-19
0.387
AAR-POS-8a4e0f60-6
0.387
MAT-POS-3b92565d-13
0.384
RUT-UNI-630c5802-21
0.383
HOL-KAN-47917554-1
0.380
AAR-POS-8a4e0f60-8
0.378
MAR-LAB-ff9967db-30
0.378
RUT-UNI-630c5802-18
0.377
PET-UNK-7374c256-1
0.377
RUT-UNI-630c5802-17
0.377
ALP-POS-8ed8d9ec-7
0.377
ALP-POS-c0c213c9-13
0.371
RUT-UNI-630c5802-20
0.370
HOL-KAN-828c7b64-1
0.370
MAT-POS-3b92565d-11
0.369
BEN-DND-02317c5c-12
0.367
MAT-POS-bfb445d4-1
0.367