Molecular Properties | |
SMILES: | CC1(O)CN(S(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)C1 |
MW: | 486.11 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 102.84 |
cLogP: | 2.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
BEN-DND-32596b04-7
0.796
EDJ-MED-1981ceba-2
0.796
PET-UNK-d61f3ea6-1
0.779
BEN-DND-32596b04-2
0.773
EDJ-MED-1981ceba-3
0.773
EDJ-MED-1981ceba-5
0.773
MAT-POS-dd3ad2b5-4
0.769
MAT-POS-24589f88-3
0.769
MAT-POS-24589f88-2
0.769
MAT-POS-4223bc15-11
0.765
EDJ-MED-1981ceba-4
0.763
PET-UNK-d61f3ea6-4
0.760
EDJ-MED-1981ceba-1
0.755
BEN-DND-32596b04-1
0.747
MAT-POS-4223bc15-6
0.745
MAT-POS-4223bc15-2
0.737
MAT-POS-4223bc15-1
0.726
PET-UNK-d61f3ea6-2
0.719
MAT-POS-5cd9ea36-17
0.714
MAT-POS-4223bc15-3
0.708
EDJ-MED-7f6e5b75-1
0.700
MAT-POS-5cd9ea36-20
0.700
MAT-POS-5cd9ea36-10
0.696
MAT-POS-dd1fff26-1
0.696
MAT-POS-dd1fff26-2
0.696
MAT-POS-4223bc15-13
0.694
BRU-THA-98e973b9-1
0.694
BRU-THA-d60fe444-1
0.694
MAT-POS-5cd9ea36-4
0.690
MAT-POS-4223bc15-29
0.690
ALF-EVA-07677224-2
0.686
PET-UNK-af70882d-4
0.683
EDJ-MED-76744c27-5
0.683
PET-UNK-af70882d-3
0.683
MAT-POS-5cd9ea36-19
0.683
MAT-POS-4223bc15-5
0.680
MAT-POS-4223bc15-7
0.680
MAT-POS-4223bc15-15
0.680
MAT-POS-5cd9ea36-2
0.680
BEN-DND-32596b04-5
0.680
MAT-POS-5cd9ea36-11
0.680
PET-UNK-615ad708-5
0.676
PET-UNK-ff046148-1
0.676
MAT-POS-5cd9ea36-16
0.676
PET-UNK-615ad708-2
0.676
PET-UNK-d61f3ea6-3
0.676
ALF-EVA-07677224-9
0.676
MAT-POS-dd3ad2b5-1
0.674
BEN-DND-f2e727cd-6
0.674
EDJ-MED-76744c27-3
0.673
MAT-POS-5cd9ea36-24
0.673
BEN-DND-32596b04-3
0.673
XIA-UNK-50bd045a-1
0.673
MAT-POS-4223bc15-16
0.673
PET-UNK-de87a406-1
0.670
MAT-POS-bf364d7a-1
0.670
MAT-POS-bf364d7a-2
0.670
EDJ-MED-4fff0a85-3
0.670
MAT-POS-4223bc15-9
0.667
MAT-POS-4223bc15-31
0.667
MAT-POS-5cd9ea36-3
0.667
MAT-POS-61f37a1a-2
0.667
ALF-EVA-0e90125c-4
0.663
ANN-CHE-e1757302-2
0.663
EDJ-MED-4fff0a85-2
0.663
MAT-POS-4223bc15-4
0.663
MAT-POS-5cd9ea36-9
0.663
MAT-POS-bf364d7a-8
0.660
EDJ-MED-76744c27-4
0.660
BEN-DND-32596b04-6
0.660
MAT-POS-bf364d7a-7
0.660
ALF-EVA-07677224-7
0.660
PET-UNK-af70882d-2
0.660
ALF-EVA-07677224-3
0.660
PET-UNK-9b23ef84-2
0.660
MAT-POS-dd3ad2b5-2
0.660
ALP-POS-07e1ed01-2
0.657
PET-UNK-af70882d-1
0.657
MAT-POS-bf364d7a-5
0.657
MAT-POS-dc2604c4-1
0.657
ALF-EVA-07677224-1
0.657
BEN-DND-32596b04-9
0.657
MAT-POS-5cd9ea36-1
0.657
EDJ-MED-76744c27-1
0.657
MAT-POS-5cd9ea36-23
0.657
MAT-POS-e194df51-1
0.657
MAT-POS-e194df51-2
0.657
JOH-SUS-07b743f6-6
0.657
MAT-POS-bf364d7a-6
0.657
PET-UNK-94036022-1
0.657
XIA-UNK-284f966f-1
0.657
PET-UNK-94036022-8
0.657
DAR-DIA-5e50e037-1
0.657
ALF-EVA-07677224-4
0.657
MAT-POS-dc2604c4-4
0.654
EDJ-MED-76744c27-6
0.654
EDJ-MED-76744c27-2
0.651
EDJ-MED-76744c27-7
0.651
XIA-UNK-c8ef6831-1
0.651
MAT-POS-5cd9ea36-18
0.651