Molecular Properties | |
SMILES: | O=C(Nn1nnc2ccccc21)N(Cc1ccoc1)c1ccc(N2CCCCC2)cc1 |
MW: | 416.2 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.43 |
cLogP: | 4.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
N,N-Dialkyl aniline derivatives (2)
ALP-POS-bad7201a-12
0.723
ALP-POS-a3de0cb1-1
0.500
ALP-POS-bad7201a-9
0.495
ALP-POS-8ed8d9ec-9
0.446
ALP-POS-6d04362c-3
0.436
ALP-POS-7c842ab8-1
0.436
ALP-POS-8ed8d9ec-8
0.434
CHO-MSK-00c5269a-5
0.429
ALP-POS-bad7201a-13
0.417
ALP-POS-a3de0cb1-4
0.400
ALP-POS-bad7201a-7
0.398
ALP-POS-a3de0cb1-9
0.375
ALP-POS-8ed8d9ec-13
0.375
ALP-POS-6d04362c-5
0.366
DAR-DIA-093892e4-11
0.351
ALP-POS-6d04362c-4
0.350
ALP-POS-8ed8d9ec-1
0.350
ALP-POS-bad7201a-3
0.345
CHO-MSK-00c5269a-4
0.345
ALP-POS-7c842ab8-2
0.336
ALP-POS-bad7201a-1
0.333
MAT-POS-bfb445d4-2
0.333
ALP-POS-a3de0cb1-13
0.331
DAR-DIA-093892e4-9
0.317
DAR-DIA-093892e4-10
0.311
ALP-POS-a3de0cb1-11
0.306
ALP-POS-bad7201a-6
0.300
ALP-POS-8ed8d9ec-15
0.291
ALP-POS-c59291d4-4
0.291
ALP-POS-c59291d4-3
0.288
ALP-POS-a1bdc92a-1
0.284
DAR-DIA-2964957d-7
0.284
ALP-POS-bad7201a-14
0.277
DAR-DIA-093892e4-7
0.276
ALP-POS-6d04362c-1
0.274
ALP-POS-c0c213c9-12
0.270
DAR-DIA-093892e4-8
0.270
RUT-UNI-630c5802-9
0.269
ALP-POS-8ed8d9ec-2
0.269
DAR-DIA-093892e4-12
0.268
PET-UNK-b75fdf9f-1
0.267
ROB-IMP-e811baff-1
0.266
PET-UNK-1901c25b-2
0.264
RUT-UNI-630c5802-22
0.264
DAR-DIA-093892e4-1
0.264
ALP-POS-c59291d4-2
0.264
RAL-THA-4a5dabff-1
0.263
RUT-UNI-630c5802-25
0.263
RAL-THA-4a5dabff-3
0.263
ALP-POS-d2866bdf-1
0.263
ALP-POS-c0c213c9-18
0.262
DAR-DIA-093892e4-2
0.262
RUT-UNI-630c5802-13
0.262
ALP-POS-8ed8d9ec-6
0.260
FRA-BIO-8bf1eac9-12
0.259
CHO-MSK-00c5269a-1
0.258
ALP-POS-6d04362c-2
0.258
ALP-POS-bad7201a-15
0.258
CHO-MSK-00c5269a-3
0.258
RUT-UNI-630c5802-27
0.258
DAR-DIA-093892e4-4
0.258
ALP-POS-bad7201a-5
0.256
ALP-POS-c59291d4-1
0.256
DAR-DIA-093892e4-6
0.256
RUT-UNI-630c5802-1
0.256
LIZ-THE-8e85e675-1
0.255
RAL-THA-4a5dabff-2
0.254
RUT-UNI-630c5802-5
0.254
ALP-POS-75715966-5
0.252
CHO-MSK-00c5269a-2
0.252
RUT-UNI-630c5802-26
0.252
ALP-POS-c0c213c9-6
0.252
MAD-UNK-84a4f939-1
0.252
MAD-UNK-b1ea4171-1
0.252
RUT-UNI-630c5802-24
0.252
DAR-DIA-093892e4-5
0.252
RAL-THA-4a5dabff-8
0.250
OLG-UNK-911c2067-1
0.250
ALP-POS-8ed8d9ec-10
0.248
ALP-POS-8ed8d9ec-12
0.246
ALP-POS-c0c213c9-13
0.246
DAR-DIA-093892e4-3
0.246
ANT-DIA-62e4526e-1
0.245
MAT-POS-ffe83904-1
0.244
ALP-POS-a3de0cb1-2
0.244
MAK-UNK-b7886382-2
0.244
ALP-POS-87c86d55-2
0.244
ALP-POS-c0c213c9-3
0.244
VLA-UCB-34f3ed0c-2
0.244
EDJ-MED-06d94977-1
0.243
PET-UNK-7374c256-2
0.242
LON-WEI-adc59df6-95
0.242
PET-UNK-1901c25b-3
0.242
ALP-POS-87c86d55-1
0.242
MAT-POS-06036648-5
0.242
AAR-UNI-c25c2f1e-32
0.241
BEN-DND-61647d40-2
0.241
MAR-LAB-ff9967db-4
0.241
ALP-POS-bad7201a-10
0.239
MAT-POS-06036648-6
0.238