Molecular Properties | |
SMILES: | Cc1nnc(-c2ccc3c(NC(=O)C4CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)cncc3c2)o1 |
MW: | 562.12 |
Fraction sp3: | 0.3 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 142.08 |
cLogP: | 4.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e194df51-1
EDJ-MED-378a25ea-16
0.805
EDJ-MED-7889e8da-6
0.748
EDJ-MED-378a25ea-9
0.748
EDJ-MED-be9e6f63-4
0.748
EDJ-MED-7889e8da-4
0.748
EDJ-MED-378a25ea-13
0.735
EDJ-MED-378a25ea-11
0.726
EDJ-MED-378a25ea-25
0.719
MAT-POS-c7726e07-8
0.719
MAT-POS-c7726e07-7
0.719
EDJ-MED-be9e6f63-3
0.719
EDJ-MED-378a25ea-18
0.713
EDJ-MED-be9e6f63-2
0.708
EDJ-MED-7889e8da-2
0.708
EDJ-MED-378a25ea-7
0.707
MAT-POS-22373164-2
0.707
EDJ-MED-be9e6f63-1
0.704
EDJ-MED-378a25ea-1
0.698
EDJ-MED-378a25ea-21
0.698
MAT-POS-dc2604c4-1
0.696
MAT-POS-e194df51-1
0.696
MAT-POS-e194df51-2
0.696
MAT-POS-22373164-3
0.695
EDJ-MED-378a25ea-23
0.692
EDJ-MED-4f4dd660-2
0.692
MAT-POS-22373164-1
0.692
PET-UNK-c6bcc80b-1
0.681
PET-UNK-c6bcc80b-8
0.681
EDJ-MED-4f4dd660-4
0.681
MAT-POS-22373164-4
0.681
PET-UNK-19e211a9-8
0.678
ALP-POS-6f6ae286-4
0.675
EDJ-MED-378a25ea-27
0.675
EDJ-MED-4f4dd660-6
0.669
EDJ-MED-378a25ea-33
0.669
MAT-POS-5cd9ea36-5
0.667
EDJ-MED-378a25ea-4
0.667
EDJ-MED-378a25ea-10
0.667
EDJ-MED-378a25ea-31
0.664
PET-UNK-19e211a9-5
0.664
PET-UNK-19e211a9-6
0.664
MAT-POS-5cd9ea36-6
0.664
MAT-POS-bf364d7a-9
0.664
MAT-POS-bf364d7a-10
0.664
MAT-POS-4223bc15-12
0.664
EDJ-MED-378a25ea-17
0.661
EDJ-MED-378a25ea-12
0.658
JOH-SUS-07b743f6-3
0.655
MAT-POS-b4d6b7fc-9
0.655
MAT-POS-81ae2990-9
0.655
EDJ-MED-378a25ea-3
0.650
EDJ-MED-378a25ea-29
0.650
PET-UNK-19e211a9-9
0.642
MAT-POS-e36d57d9-1
0.642
EDJ-MED-378a25ea-26
0.642
MAT-POS-2e8b2191-9
0.642
MAT-POS-97ec4bd1-2
0.642
MAT-POS-78ab8081-6
0.642
PET-UNK-19e211a9-10
0.642
PET-UNK-19e211a9-7
0.636
PET-UNK-19e211a9-4
0.632
EDJ-MED-378a25ea-14
0.632
MAT-POS-bf364d7a-11
0.631
MAT-POS-5cd9ea36-7
0.631
EDJ-MED-378a25ea-2
0.631
MAT-POS-78ab8081-4
0.631
EDJ-MED-378a25ea-22
0.631
EDJ-MED-378a25ea-24
0.631
MAT-POS-bf364d7a-12
0.631
EDJ-MED-378a25ea-8
0.626
EDJ-MED-378a25ea-20
0.626
ALP-POS-07e1ed01-2
0.625
EDJ-MED-378a25ea-28
0.621
MAT-POS-13080fc6-3
0.620
EDJ-MED-378a25ea-6
0.618
ALP-POS-07e1ed01-1
0.617
MAT-POS-dc2604c4-3
0.617
MAT-POS-777f5926-4
0.617
MAT-POS-777f5926-3
0.617
MAT-POS-78ab8081-2
0.614
EDJ-MED-378a25ea-34
0.611
EDJ-MED-378a25ea-5
0.611
PET-UNK-94036022-1
0.610
JOH-SUS-07b743f6-6
0.610
XIA-UNK-284f966f-1
0.610
PET-UNK-94036022-8
0.610
EDJ-MED-378a25ea-32
0.609
ALE-ALC-b4762a05-1
0.608
ALE-ALC-1b189c66-1
0.608
PET-UNK-19e211a9-1
0.600
PET-UNK-19e211a9-3
0.600
MAT-POS-bfd29aac-1
0.600
PET-UNK-615ad708-4
0.600
PET-UNK-615ad708-1
0.600
EDJ-MED-378a25ea-19
0.598
EDJ-MED-378a25ea-30
0.598
MAT-POS-5c19d660-1
0.598
PET-UNK-19e211a9-2
0.597
MAT-POS-bfd29aac-2
0.597
ALE-ALC-3d276b90-1
0.595