Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2ccccc2)C(=O)Nc2nnc3ccccn23)cc1 |
MW: | 386.19 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.77 |
cLogP: | 4.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-bad7201a-3
0.773
ALP-POS-bad7201a-1
0.679
ALP-POS-a3de0cb1-4
0.537
ALP-POS-8ed8d9ec-4
0.500
ALP-POS-a3de0cb1-10
0.489
ALP-POS-6d04362c-1
0.418
PET-UNK-e44ffd04-1
0.407
NAU-LAT-a5c7d7cb-12
0.407
BEN-DND-02317c5c-8
0.407
ALP-POS-8ed8d9ec-16
0.383
WIL-UNI-5578df48-3
0.360
ALP-POS-a3de0cb1-1
0.353
ALP-POS-a1bdc92a-1
0.340
WIL-UNI-5578df48-8
0.337
ALP-POS-bad7201a-14
0.317
MAR-LAB-efb042c5-6
0.317
ALP-POS-d2866bdf-1
0.314
EDG-MED-0da5ad92-20
0.310
ALP-POS-bad7201a-15
0.308
CHO-MSK-00c5269a-3
0.308
ALP-POS-6d04362c-2
0.308
WIL-UNI-d4749f31-7
0.304
DAR-DIA-093892e4-7
0.304
WIL-UNI-2a57d06c-1
0.304
ALP-POS-87c86d55-1
0.301
DAR-DIA-093892e4-9
0.300
DAR-DIA-093892e4-5
0.299
DAR-DIA-093892e4-6
0.291
AAR-POS-8a4e0f60-11
0.290
PET-UNK-55f647aa-3
0.289
ALP-POS-8ed8d9ec-7
0.288
PET-UNK-7374c256-1
0.288
DAR-DIA-093892e4-1
0.288
ALP-POS-a3de0cb1-2
0.287
PET-UNK-b75fdf9f-3
0.286
ALP-POS-7c842ab8-2
0.286
DAR-DIA-093892e4-10
0.283
DAR-DIA-093892e4-8
0.283
ALP-POS-8ed8d9ec-10
0.282
UNK-UNK-2ede4078-14
0.281
DAR-DIA-093892e4-3
0.279
MIC-UNK-bcd487e9-1
0.279
ALP-POS-6d04362c-5
0.278
PET-UNK-1901c25b-3
0.276
PET-UNK-7374c256-2
0.276
ALP-POS-bad7201a-13
0.276
ALP-POS-8ed8d9ec-13
0.275
ALP-POS-a3de0cb1-9
0.275
DAR-DIA-093892e4-2
0.274
ALP-POS-bad7201a-6
0.270
DAR-DIA-093892e4-4
0.270
ALP-POS-8ed8d9ec-1
0.265
RUT-UNI-630c5802-8
0.265
RUT-UNI-630c5802-5
0.265
RAL-THA-d07c7800-4
0.263
RUT-UNI-630c5802-6
0.259
ROB-IMP-e811baff-1
0.257
RUT-UNI-630c5802-1
0.256
ALP-POS-c0c213c9-5
0.255
RAL-THA-4a5dabff-2
0.255
ALP-POS-bad7201a-7
0.254
BAR-COM-4e090d3a-47
0.252
MAD-UNK-b1ea4171-1
0.252
MAD-UNK-84a4f939-1
0.252
ALP-POS-75715966-5
0.252
RAL-THA-d07c7800-2
0.252
RAL-THA-d07c7800-5
0.250
PET-UNK-1901c25b-1
0.250
RUT-UNI-630c5802-3
0.248
ALP-POS-bad7201a-9
0.248
GAB-REV-70cc3ca5-2
0.248
ALP-POS-a3de0cb1-15
0.248
ALP-POS-75715966-4
0.248
ALP-POS-75715966-1
0.246
ALP-POS-c59291d4-1
0.245
MAR-TRE-04c86cea-93
0.245
MAR-TRE-a9136c7b-67
0.245
RAL-THA-d07c7800-1
0.243
ALP-POS-c59291d4-2
0.243
ALP-POS-75715966-2
0.243
RUT-UNI-630c5802-13
0.242
RUT-UNI-630c5802-26
0.241
RUT-UNI-630c5802-2
0.241
ALP-POS-75715966-3
0.241
RAL-THA-4a5dabff-1
0.240
RUT-UNI-630c5802-9
0.240
ALP-POS-bad7201a-2
0.239
RUT-UNI-630c5802-16
0.239
SID-ELM-2583a2cd-7
0.239
WIL-UNI-d4749f31-45
0.239
UNK-UNK-2ede4078-7
0.239
ALP-POS-c59291d4-3
0.237
MAR-TRE-c8530538-12
0.236
ALP-POS-c59291d4-4
0.236
JAL-FNM-0d3e14c0-1
0.236
ALP-POS-bad7201a-12
0.235
DRE-WAB-9b73098a-1
0.233
UNK-UNK-2ede4078-29
0.233
WIL-UNI-d4749f31-28
0.233
RUT-UNI-630c5802-7
0.233