Molecular Properties | |
SMILES: | O=C(Cc1nnn2ccccc12)N(Cc1ccccc1)c1ccc(N2CCOCC2)cc1 |
MW: | 427.2 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 62.97 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-8ed8d9ec-13
0.807
ALP-POS-a3de0cb1-9
0.807
ALP-POS-6d04362c-5
0.602
ALP-POS-8ed8d9ec-6
0.541
ALP-POS-bad7201a-1
0.476
ALP-POS-6d04362c-4
0.467
CHO-MSK-00c5269a-4
0.458
ALP-POS-8ed8d9ec-12
0.450
ALP-POS-c0c213c9-12
0.411
ALP-POS-6d04362c-1
0.386
DAR-DIA-093892e4-11
0.376
ALP-POS-6d04362c-3
0.375
ALP-POS-bad7201a-14
0.370
ALP-POS-a3de0cb1-16
0.368
CHO-MSK-00c5269a-5
0.368
ALP-POS-7c842ab8-1
0.363
ALP-POS-a3de0cb1-11
0.350
ALP-POS-7c842ab8-2
0.348
MAR-LAB-efb042c5-6
0.337
ALP-POS-c0c213c9-16
0.336
DAR-DIA-093892e4-9
0.328
MAD-UNK-84a4f939-1
0.316
MAD-UNK-b1ea4171-1
0.316
ALP-POS-a3de0cb1-15
0.315
ALP-POS-bad7201a-13
0.314
RUT-UNI-630c5802-5
0.314
UNK-UNK-2ede4078-14
0.314
DAR-DIA-093892e4-10
0.311
ALP-POS-c59291d4-1
0.310
RUT-UNI-630c5802-1
0.306
MAK-UNK-b7886382-2
0.303
ALP-POS-bad7201a-2
0.300
ALP-POS-bad7201a-8
0.299
RUT-UNI-630c5802-9
0.298
ALP-POS-c59291d4-3
0.298
ROB-IMP-e811baff-1
0.297
RAL-THA-4a5dabff-1
0.296
ALP-POS-bad7201a-12
0.295
ALP-POS-a3de0cb1-2
0.293
RUT-UNI-630c5802-13
0.290
ALP-POS-c59291d4-4
0.289
PET-UNK-b75fdf9f-1
0.288
ALP-POS-8ed8d9ec-10
0.288
ALP-POS-bad7201a-5
0.287
ALP-POS-a3de0cb1-4
0.287
PET-UNK-1901c25b-2
0.284
ALP-POS-c59291d4-2
0.283
ALP-POS-d2866bdf-1
0.283
ALP-POS-a1bdc92a-1
0.283
ALP-POS-c0c213c9-6
0.282
RUT-UNI-630c5802-24
0.282
CHO-MSK-00c5269a-2
0.282
DAR-DIA-093892e4-5
0.282
JOH-UNI-522b0723-10
0.280
ALP-POS-bad7201a-15
0.278
CHO-MSK-00c5269a-3
0.278
CHO-MSK-00c5269a-1
0.278
ALP-POS-6d04362c-2
0.278
RUT-UNI-630c5802-6
0.277
RUT-UNI-630c5802-27
0.277
DAR-DIA-093892e4-12
0.277
PAT-GYR-de8eec61-3
0.277
DAR-DIA-093892e4-7
0.274
ALP-POS-8ed8d9ec-9
0.274
ALP-POS-8ed8d9ec-11
0.274
DAR-DIA-093892e4-1
0.273
ALP-POS-c0c213c9-3
0.273
UNK-UNK-2ede4078-29
0.272
RUT-UNI-630c5802-26
0.271
ALP-POS-c0c213c9-18
0.271
ALP-POS-bad7201a-10
0.270
ALP-POS-a3de0cb1-6
0.270
UNK-UNK-2ede4078-7
0.270
DAR-DIA-093892e4-8
0.268
GIA-UNK-3f36037a-6
0.268
WIL-UNI-5578df48-3
0.267
ALP-POS-a3de0cb1-1
0.263
RUT-UNI-630c5802-8
0.262
ALP-POS-87c86d55-2
0.262
RUT-UNI-630c5802-7
0.262
ALP-POS-87c86d55-1
0.261
RUT-UNI-630c5802-2
0.261
DAR-DIA-093892e4-2
0.260
OLG-UNK-911c2067-1
0.259
UNK-UNK-2ede4078-8
0.258
DAR-DIA-093892e4-4
0.256
DAR-DIA-093892e4-3
0.254
RUT-UNI-630c5802-10
0.254
DAR-DIA-093892e4-6
0.254
JOH-UNI-abdb2f0c-1
0.252
ALP-POS-c0c213c9-5
0.252
RAL-THA-4a5dabff-2
0.252
RUT-UNI-630c5802-25
0.252
UNK-UNK-2ede4078-44
0.250
PAT-GYR-de8eec61-4
0.250
PET-UNK-1901c25b-3
0.250
ALP-POS-a3de0cb1-12
0.250
RAL-THA-4a5dabff-3
0.250
RAL-THA-d07c7800-2
0.250
PET-UNK-7374c256-2
0.250