Molecular Properties | |
SMILES: | CN(C)c1ccc(C2CN(c3cncc4ccccc34)C(=O)C23CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc23)cc1 |
MW: | 625.19 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 97.61 |
cLogP: | 5.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (5)
Hetero_hetero
MIC-UNK-c85ea37c-2
0.783
MAT-POS-b3212acf-2
0.737
MIC-UNK-257d841f-1
0.737
MAT-POS-50a80394-1
0.713
MAT-POS-50a80394-2
0.713
MIK-ENA-99706bb8-1
0.713
MIK-ENA-17e27e9c-1
0.713
MIK-ENA-623fe2a6-1
0.713
MIK-ENA-2c0ad173-1
0.713
MIK-ENA-be04d1d4-1
0.713
MIK-ENA-e143773d-1
0.713
MIK-ENA-edcfce18-1
0.713
MIK-ENA-0547b12c-1
0.713
MAT-POS-b3212acf-1
0.701
MAT-POS-50a80394-3
0.701
MIC-UNK-257d841f-2
0.675
MIC-UNK-c85ea37c-1
0.643
EDJ-MED-7e491f08-1
0.608
LUO-POS-f7b1afe6-1
0.605
ALP-POS-01611061-2
0.605
MIC-UNK-eb20c3e1-3
0.602
MAT-POS-50a80394-8
0.598
ALP-POS-01611061-1
0.598
LUO-POS-f7b1afe6-2
0.598
LUO-POS-eaf50f21-4
0.595
ALP-POS-ecbed2ba-4
0.595
MIK-ENA-5d9157e9-1
0.595
EDJ-MED-8bb691af-6
0.595
MIK-ENA-5d9157e9-2
0.595
EDJ-MED-a12e3a20-1
0.595
ALP-POS-133e7cd9-2
0.593
ALP-POS-01611061-3
0.590
LUO-POS-b5068a05-1
0.581
LUO-POS-eaf50f21-3
0.577
LUO-POS-eaf50f21-1
0.576
EDJ-MED-8bb691af-5
0.573
EDG-MED-b6bce001-2
0.571
LUO-POS-eaf50f21-2
0.570
ALP-POS-ecbed2ba-8
0.560
LUO-POS-eaf50f21-5
0.557
EDG-MED-00af8776-1
0.556
EDG-MED-0c930815-1
0.556
EDG-MED-b6bce001-1
0.556
EDJ-MED-cbbe2dbb-1
0.555
MIC-UNK-7b6fe9e8-1
0.555
LUO-POS-b5068a05-2
0.554
ALP-POS-ecbed2ba-15
0.551
LUO-POS-e1dab717-15
0.551
VLA-UNK-61877630-9
0.548
VLA-UNK-e334495f-3
0.548
LUO-POS-e1dab717-16
0.547
ALP-POS-ecbed2ba-11
0.546
VLA-UNK-e334495f-4
0.543
LUO-POS-5857a86a-1
0.543
MAT-POS-1bed62cf-1
0.540
LUO-POS-868e8996-9
0.540
LUO-POS-868e8996-10
0.540
MIC-UNK-7b6fe9e8-2
0.539
MAT-POS-c2d406ed-2
0.539
MIC-UNK-7b6fe9e8-3
0.538
MIK-ENA-f156d06e-1
0.535
MAT-POS-c2d406ed-1
0.535
PET-UNK-94036022-6
0.535
PET-UNK-94036022-13
0.535
LUO-POS-5857a86a-2
0.535
MAT-POS-c2d406ed-4
0.535
PET-UNK-143b31ee-2
0.535
PET-UNK-143b31ee-5
0.535
EDJ-MED-4138fde9-7
0.535
PET-UNK-143b31ee-3
0.531
PET-UNK-143b31ee-6
0.531
ALP-POS-ecbed2ba-2
0.530
EDJ-MED-8bb691af-2
0.528
MAT-POS-c2d406ed-3
0.523
PET-UNK-143b31ee-1
0.523
PET-UNK-143b31ee-4
0.523
PET-UNK-94036022-9
0.512
PET-UNK-94036022-2
0.512
VLA-UNK-61877630-8
0.504
ALP-POS-ecbed2ba-22
0.504
VLA-UNK-e334495f-2
0.504
VLA-UNK-61877630-7
0.496
VLA-UNK-e334495f-1
0.496
EDJ-MED-accc2c4d-3
0.496
EDJ-MED-b6c6ee2b-4
0.488
MAT-POS-38eb6498-2
0.486
ALP-POS-c3a90b22-7
0.485
ALP-POS-ecbed2ba-3
0.484
ALP-POS-ecbed2ba-6
0.481
LUO-POS-8484f2d3-1
0.479
MAT-POS-853c0ffa-9
0.479
MAT-POS-38eb6498-1
0.479
MIK-ENA-8063e9dc-1
0.479
LUO-POS-8484f2d3-2
0.479
MIK-ENA-7066949b-1
0.479
ALP-POS-ecbed2ba-13
0.477
ALP-POS-ecbed2ba-1
0.477
EDJ-MED-accc2c4d-1
0.477
JOH-MSK-949975c8-1
0.476
MAT-POS-40ad851a-4
0.476