Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cnc(C(F)F)c4ccccc34)C2)CC1 |
MW: | 530.1 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 103.16 |
cLogP: | 5.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
JOH-UNI-2440d4f3-4
0.780
JOH-UNI-3267ef54-2
0.762
JOH-UNI-7e3f498e-3
0.762
MAT-POS-dc2604c4-1
0.712
MAT-POS-e194df51-1
0.712
MAT-POS-e194df51-2
0.712
JOH-UNI-2440d4f3-1
0.694
MAT-POS-4223bc15-12
0.676
EDJ-MED-7889e8da-4
0.667
EDJ-MED-be9e6f63-4
0.667
MAT-POS-5cd9ea36-5
0.664
MAT-POS-bf364d7a-9
0.661
MAT-POS-bf364d7a-10
0.661
MAT-POS-5cd9ea36-6
0.661
EDJ-MED-7889e8da-2
0.661
EDJ-MED-be9e6f63-2
0.661
MAT-POS-5cd9ea36-7
0.655
MAT-POS-bf364d7a-11
0.655
MAT-POS-bf364d7a-12
0.655
JOH-SUS-07b743f6-3
0.651
MAT-POS-81ae2990-9
0.651
MAT-POS-b4d6b7fc-9
0.651
ALE-ALC-3d276b90-1
0.645
ALE-ALC-b4762a05-1
0.645
ALE-ALC-1b189c66-1
0.645
JOH-UNI-3267ef54-3
0.636
PET-UNK-19e211a9-7
0.632
ALP-POS-6f6ae286-4
0.628
ALE-ALC-e1a61ec1-1
0.628
EDJ-MED-be9e6f63-1
0.628
PET-UNK-19e211a9-4
0.627
JOH-UNI-7e3f498e-1
0.626
JOH-UNI-2440d4f3-3
0.625
ALP-POS-07e1ed01-1
0.625
EDJ-MED-7889e8da-6
0.625
EDJ-MED-378a25ea-12
0.625
MAT-POS-777f5926-4
0.625
MAT-POS-777f5926-3
0.625
EDJ-MED-378a25ea-9
0.625
MAT-POS-dc2604c4-3
0.625
PET-UNK-19e211a9-9
0.623
ALE-ALC-40a91b97-1
0.621
ALE-ALC-6d799671-1
0.621
EDJ-MED-378a25ea-10
0.619
ALP-POS-07e1ed01-2
0.619
EDJ-MED-378a25ea-11
0.619
EDJ-MED-378a25ea-29
0.619
EDJ-MED-378a25ea-30
0.619
XIA-UNK-284f966f-1
0.618
PET-UNK-94036022-1
0.618
PET-UNK-94036022-8
0.618
PET-UNK-19e211a9-5
0.617
PET-UNK-19e211a9-6
0.617
PET-UNK-19e211a9-8
0.617
ALE-ALC-159be365-1
0.617
JOH-UNI-7e3f498e-2
0.616
MAT-POS-81ae2990-8
0.616
EDJ-MED-be9e6f63-3
0.614
MAT-POS-c7726e07-7
0.614
MAT-POS-c7726e07-8
0.614
EDJ-MED-378a25ea-25
0.614
EDJ-MED-378a25ea-2
0.612
MAT-POS-78ab8081-4
0.612
JOH-UNI-3267ef54-1
0.609
PET-UNK-19e211a9-10
0.609
EDJ-MED-378a25ea-26
0.609
MAT-POS-e36d57d9-1
0.609
MAT-POS-2e8b2191-9
0.609
EDJ-MED-378a25ea-18
0.609
EDJ-MED-378a25ea-21
0.609
MAT-POS-97ec4bd1-2
0.609
MAT-POS-78ab8081-6
0.609
EDJ-MED-378a25ea-1
0.609
PET-UNK-615ad708-4
0.607
PET-UNK-19e211a9-1
0.607
PET-UNK-19e211a9-3
0.607
PET-UNK-615ad708-1
0.607
MAT-POS-81ae2990-7
0.607
MAT-POS-b4d6b7fc-8
0.607
MAT-POS-bfd29aac-1
0.607
MAT-POS-22373164-3
0.607
MAT-POS-22373164-4
0.607
PET-UNK-c6bcc80b-1
0.607
PET-UNK-c6bcc80b-8
0.607
EDJ-MED-378a25ea-4
0.607
PET-UNK-19e211a9-2
0.604
MAT-POS-bfd29aac-2
0.604
EDJ-MED-378a25ea-23
0.603
EDJ-MED-4f4dd660-2
0.603
EDJ-MED-378a25ea-7
0.603
MAT-POS-22373164-1
0.603
MAT-POS-22373164-2
0.603
EDJ-MED-378a25ea-6
0.598
EDJ-MED-378a25ea-22
0.598
EDJ-MED-378a25ea-24
0.598
MAT-POS-78ab8081-2
0.595
MAT-POS-5cd9ea36-9
0.595
EDJ-MED-4f4dd660-4
0.593
EDJ-MED-378a25ea-8
0.593
EDJ-MED-378a25ea-20
0.593