Molecular Properties | |
SMILES: | CN(C)c1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 390.15 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 51.02 |
cLogP: | 4.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
N,N-Dialkyl aniline derivatives (5)
aliphatic ketone not ring and not di-carbonyl
Ketone
ALP-POS-c59291d4-2
RAL-THA-4a5dabff-4
0.756
RAL-THA-4a5dabff-6
0.705
RAL-THA-4a5dabff-7
0.634
ALP-POS-d2866bdf-1
0.584
RAL-THA-4a5dabff-2
0.510
RUT-UNI-630c5802-24
0.505
ALP-POS-a3de0cb1-7
0.500
PET-UNK-b75fdf9f-1
0.495
RAL-THA-4a5dabff-1
0.495
RUT-UNI-630c5802-26
0.490
ALP-POS-c59291d4-4
0.490
ALP-POS-bad7201a-5
0.485
RUT-UNI-630c5802-18
0.484
RUT-UNI-630c5802-17
0.484
PET-UNK-1901c25b-2
0.480
ALP-POS-c0c213c9-6
0.475
RUT-UNI-630c5802-21
0.474
ALP-POS-c59291d4-1
0.469
RAL-THA-4a5dabff-3
0.469
ALP-POS-a3de0cb1-10
0.469
RUT-UNI-630c5802-27
0.465
RUT-UNI-630c5802-22
0.465
RUT-UNI-630c5802-19
0.464
ROB-IMP-e811baff-1
0.461
RUT-UNI-630c5802-20
0.459
ALP-POS-c59291d4-2
0.456
ALP-POS-87c86d55-1
0.454
RAL-THA-4a5dabff-8
0.448
ALP-POS-6d04362c-1
0.447
DAR-DIA-093892e4-7
0.443
ALP-POS-6d04362c-3
0.442
ALP-POS-6d04362c-4
0.442
PET-UNK-b75fdf9f-2
0.434
ALP-POS-bad7201a-15
0.430
CHO-MSK-00c5269a-3
0.430
ALP-POS-6d04362c-2
0.430
ALP-POS-c59291d4-3
0.430
MAT-POS-ffe83904-1
0.429
RUT-UNI-630c5802-23
0.427
RUT-UNI-630c5802-1
0.426
PET-UNK-1901c25b-3
0.424
PET-UNK-7374c256-2
0.424
MAR-LAB-ca4662a6-7
0.419
MAT-POS-06036648-1
0.418
DAR-DIA-093892e4-5
0.417
RUT-UNI-630c5802-25
0.416
DAR-DIA-093892e4-9
0.402
DAR-DIA-093892e4-1
0.402
EDJ-MED-06d94977-2
0.400
DAR-DIA-093892e4-2
0.398
PET-UNK-7374c256-1
0.396
ALP-POS-8ed8d9ec-7
0.396
DAR-DIA-093892e4-8
0.394
DAR-DIA-093892e4-6
0.393
DAR-DIA-093892e4-3
0.393
EDJ-MED-06d94977-1
0.392
DAR-DIA-093892e4-4
0.391
MAT-POS-06036648-2
0.390
DAR-DIA-093892e4-10
0.382
UNK-UNK-2ede4078-94
0.381
ALP-POS-75715966-1
0.380
ANT-DIA-62e4526e-1
0.378
ALP-POS-75715966-5
0.377
CHO-MSK-00c5269a-1
0.375
HOL-KAN-828c7b64-1
0.374
AAR-POS-8a4e0f60-8
0.370
UNK-UNK-2ede4078-81
0.370
AAR-POS-8a4e0f60-7
0.368
NAU-LAT-3f5f3993-4
0.366
OLG-UNK-911c2067-1
0.365
MAD-UNK-84a4f939-1
0.364
MAD-UNK-b1ea4171-1
0.364
MAR-LAB-ff9967db-24
0.364
MAR-LAB-ca4662a6-8
0.358
MAR-LAB-ff9967db-30
0.358
PET-UNK-b75fdf9f-3
0.357
ALP-POS-a3de0cb1-8
0.353
CHO-MSK-00c5269a-2
0.352
AAR-POS-8a4e0f60-1
0.352
ALP-POS-87c86d55-2
0.351
ANT-OPE-45835252-1
0.351
ALP-POS-bad7201a-9
0.349
ALP-POS-8ed8d9ec-14
0.348
DAR-DIA-667e571f-2
0.347
AAR-POS-8a4e0f60-4
0.347
ALP-POS-bad7201a-14
0.346
MAT-POS-3b92565d-14
0.344
BEN-DND-02317c5c-12
0.344
MAT-POS-bfb445d4-1
0.344
BEN-DND-61647d40-12
0.344
MAT-POS-06036648-5
0.343
DAR-DIA-093892e4-11
0.339
MAR-LAB-ff9967db-40
0.336
MAR-LAB-ff9967db-19
0.333
MAR-LAB-ff9967db-38
0.333
MAT-POS-3b92565d-13
0.333
DAR-DIA-093892e4-12
0.333
ALP-POS-6d04362c-5
0.330
MAT-POS-06036648-9
0.330
MAR-LAB-ff9967db-3
0.328