Molecular Properties | |
SMILES: | CN(C)CCNS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 487.14 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 94.64 |
cLogP: | 2.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
MAT-POS-5cd9ea36-17
0.811
BEN-DND-32596b04-5
0.770
MAT-POS-4223bc15-1
0.768
ALF-EVA-0e90125c-4
0.752
BEN-DND-32596b04-3
0.745
MAT-POS-4223bc15-29
0.730
MAT-POS-5cd9ea36-4
0.730
MAT-POS-4223bc15-2
0.724
PET-UNK-af70882d-3
0.723
MAT-POS-5cd9ea36-2
0.720
MAT-POS-24589f88-3
0.719
MAT-POS-dd3ad2b5-4
0.719
MAT-POS-24589f88-2
0.719
MAT-POS-4223bc15-6
0.714
MAT-POS-5cd9ea36-3
0.706
MAT-POS-5cd9ea36-19
0.706
MAT-POS-5cd9ea36-16
0.699
BEN-DND-32596b04-9
0.695
MAT-POS-5cd9ea36-23
0.695
EDJ-MED-1981ceba-2
0.693
PET-UNK-d61f3ea6-2
0.690
PET-UNK-af70882d-4
0.689
MAT-POS-5cd9ea36-20
0.689
BRU-THA-d60fe444-1
0.683
MAT-POS-4223bc15-13
0.683
MAT-POS-4223bc15-3
0.680
MAT-POS-5cd9ea36-24
0.680
DAR-DIA-5e50e037-1
0.679
MAT-POS-5cd9ea36-21
0.676
EDJ-MED-76744c27-5
0.673
EDJ-MED-7f6e5b75-1
0.673
MAT-POS-5cd9ea36-18
0.673
MAT-POS-4223bc15-5
0.670
MAT-POS-5cd9ea36-11
0.670
MAT-POS-5cd9ea36-22
0.670
BRU-THA-98e973b9-1
0.667
PET-UNK-af70882d-2
0.667
XIA-UNK-50bd045a-1
0.664
ALF-EVA-0e90125c-8
0.664
PET-UNK-d61f3ea6-1
0.663
EDJ-MED-76744c27-3
0.663
BEN-DND-32596b04-4
0.661
MAT-POS-af1eef35-2
0.661
MAT-POS-51135489-1
0.661
EDJ-MED-e18764cb-3
0.661
PET-UNK-de87a406-1
0.660
BEN-DND-32596b04-2
0.660
BEN-DND-32596b04-8
0.660
EDJ-MED-1981ceba-5
0.660
BEN-DND-32596b04-7
0.660
MAT-POS-4223bc15-31
0.657
MAT-POS-4223bc15-9
0.657
MAT-POS-61f37a1a-2
0.657
MAT-POS-4223bc15-4
0.654
BEN-DND-32596b04-1
0.654
EDJ-MED-4fff0a85-2
0.654
MAT-POS-5cd9ea36-10
0.654
MAT-POS-dd1fff26-1
0.654
ANN-CHE-e1757302-2
0.654
MAT-POS-dd1fff26-2
0.654
MAT-POS-4223bc15-7
0.654
MAT-POS-4223bc15-15
0.654
ALF-EVA-07677224-7
0.651
EDJ-MED-76744c27-4
0.651
ALF-EVA-07677224-8
0.651
MAT-POS-bf364d7a-7
0.651
MAT-POS-bf364d7a-8
0.651
ALF-EVA-07677224-3
0.651
PET-UNK-615ad708-5
0.651
PET-UNK-ff046148-1
0.651
PET-UNK-615ad708-2
0.651
PET-UNK-d61f3ea6-3
0.651
ALF-EVA-07677224-4
0.648
MAT-POS-bf364d7a-6
0.648
PET-UNK-af70882d-1
0.648
MAT-POS-bf364d7a-5
0.648
EDJ-MED-76744c27-1
0.648
MAT-POS-5cd9ea36-1
0.648
ANN-CHE-e1757302-5
0.648
EDJ-MED-4fff0a85-3
0.645
MAT-POS-bf364d7a-1
0.645
MAT-POS-bf364d7a-2
0.645
MAT-POS-dc2604c4-4
0.645
EDJ-MED-1981ceba-1
0.645
EDJ-MED-1981ceba-3
0.645
EDJ-MED-76744c27-6
0.645
MAT-POS-4223bc15-24
0.644
ALF-EVA-07677224-5
0.642
EDJ-MED-76744c27-2
0.642
EDJ-MED-76744c27-7
0.642
MAT-POS-5cd9ea36-12
0.642
XIA-UNK-c8ef6831-1
0.642
RAL-THA-ee48ba5f-2
0.642
RAL-THA-ee48ba5f-5
0.641
MAT-POS-dc2604c4-2
0.640
MAT-POS-4223bc15-30
0.639
MAT-POS-4223bc15-11
0.639
MAT-POS-4223bc15-14
0.639
MAT-POS-5cd9ea36-9
0.639
ALF-EVA-07677224-6
0.639