Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2cnc3ccccc32)cc1 |
MW: | 390.15 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 41.37 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-8ed8d9ec-7
1.000
ALP-POS-d2866bdf-1
0.624
ALP-POS-bad7201a-4
0.575
PET-UNK-b75fdf9f-3
0.512
RUT-UNI-630c5802-26
0.505
PET-UNK-b75fdf9f-1
0.495
ALP-POS-c59291d4-4
0.489
ALP-POS-bad7201a-5
0.484
PET-UNK-55f647aa-3
0.483
PET-UNK-1901c25b-2
0.479
RAL-THA-4a5dabff-2
0.479
RAL-THA-4a5dabff-1
0.478
RUT-UNI-630c5802-24
0.474
ALP-POS-c0c213c9-6
0.474
ALP-POS-c59291d4-1
0.469
RUT-UNI-630c5802-27
0.465
ROB-IMP-e811baff-1
0.460
ALP-POS-c59291d4-2
0.455
ALP-POS-6d04362c-3
0.441
ALP-POS-6d04362c-4
0.441
RUT-UNI-630c5802-1
0.438
PET-UNK-1901c25b-1
0.433
ALP-POS-6d04362c-1
0.430
ALP-POS-c59291d4-3
0.429
MAT-POS-ffe83904-1
0.427
ALP-POS-a3de0cb1-7
0.424
RAL-THA-4a5dabff-3
0.423
ALP-POS-87c86d55-1
0.423
RAL-THA-4a5dabff-8
0.419
RUT-UNI-630c5802-25
0.414
CHO-MSK-00c5269a-3
0.414
ALP-POS-6d04362c-2
0.414
ALP-POS-bad7201a-15
0.414
DAR-DIA-093892e4-7
0.412
RAL-THA-d07c7800-4
0.410
DAR-DIA-093892e4-5
0.402
ALP-POS-c0c213c9-5
0.398
RAL-THA-4a5dabff-5
0.396
RAL-THA-d07c7800-5
0.393
PET-UNK-b75fdf9f-2
0.390
RAL-THA-d07c7800-6
0.388
DAR-DIA-093892e4-1
0.387
DAR-DIA-093892e4-9
0.387
RUT-UNI-630c5802-21
0.386
ALP-POS-c0c213c9-11
0.386
DAR-DIA-093892e4-2
0.383
PET-UNK-1901c25b-3
0.380
PET-UNK-7374c256-2
0.380
RUT-UNI-630c5802-17
0.380
DAR-DIA-093892e4-8
0.380
DAR-DIA-093892e4-3
0.377
DAR-DIA-093892e4-6
0.377
DAR-DIA-093892e4-4
0.376
ALP-POS-bad7201a-9
0.373
RAL-THA-d07c7800-3
0.370
DAR-DIA-093892e4-10
0.367
UNK-UNK-2ede4078-44
0.366
RUT-UNI-630c5802-18
0.366
NIR-WEI-75ed5c39-1
0.365
RAL-THA-d07c7800-1
0.361
HOL-KAN-828c7b64-1
0.360
RUT-UNI-630c5802-20
0.359
ALP-POS-c0c213c9-12
0.358
RAL-THA-d07c7800-2
0.358
RUT-UNI-630c5802-22
0.352
RUT-UNI-630c5802-19
0.350
MAT-POS-162a9720-10
0.345
RUT-UNI-630c5802-3
0.343
PET-UNK-55f647aa-2
0.336
MAD-UNK-b1ea4171-1
0.336
RUT-UNI-630c5802-2
0.336
MAD-UNK-84a4f939-1
0.336
UNK-UNK-2ede4078-66
0.333
RUT-UNI-630c5802-4
0.330
ALP-POS-8ed8d9ec-10
0.330
BEN-DND-61647d40-13
0.330
JIN-POS-6dc588a4-1
0.330
BEN-DND-02317c5c-11
0.330
PET-UNK-55f647aa-1
0.321
RUT-UNI-630c5802-23
0.321
CHO-MSK-00c5269a-1
0.321
ALP-POS-75715966-1
0.315
ALP-POS-a3de0cb1-10
0.314
ALP-POS-8ed8d9ec-12
0.313
CHO-MSK-00c5269a-2
0.312
ALP-POS-75715966-5
0.312
OLG-UNK-911c2067-1
0.311
RUT-UNI-630c5802-5
0.310
MAK-UNK-b7886382-2
0.310
BEN-DND-61647d40-3
0.307
ALP-POS-bad7201a-14
0.306
ALP-POS-87c86d55-2
0.301
DAR-DIA-093892e4-11
0.300
MAR-TRE-a9136c7b-45
0.297
RAL-THA-4a5dabff-7
0.296
MAT-POS-06036648-1
0.295
DAR-DIA-093892e4-12
0.295
RUT-UNI-630c5802-9
0.294
ALP-POS-6d04362c-5
0.291
NAU-LAT-a5c7d7cb-4
0.291