Molecular Properties | |
SMILES: | N#CC1CN(S(=O)(=O)CN2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)C1 |
MW: | 495.11 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 106.4 |
cLogP: | 3.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-8293a91a-5
RAL-THA-ee48ba5f-4
0.779
RAL-THA-ee48ba5f-5
0.768
RAL-THA-ee48ba5f-1
0.737
EDJ-MED-fa7708b3-1
0.737
RAL-THA-ee48ba5f-2
0.730
EDJ-MED-1981ceba-4
0.723
RAL-THA-ee48ba5f-6
0.716
MAT-POS-61f37a1a-12
0.711
PET-UNK-162c14b2-1
0.711
MIC-UNK-482af05e-2
0.680
MAT-POS-4223bc15-21
0.677
EDJ-MED-c40d95bc-2
0.677
MAT-POS-4223bc15-25
0.677
PET-UNK-af70882d-2
0.673
EDJ-MED-e9a22d5d-1
0.670
MAT-POS-4223bc15-6
0.670
MAT-POS-5cd9ea36-24
0.670
MAT-POS-8293a91a-5
0.663
MAT-POS-8293a91a-4
0.663
MAT-POS-4223bc15-26
0.663
MAT-POS-4223bc15-23
0.663
MAT-POS-4223bc15-27
0.663
MAT-POS-4223bc15-10
0.660
MAT-POS-5cd9ea36-15
0.657
BRU-THA-d60fe444-1
0.657
MAT-POS-dd3ad2b5-4
0.657
MAT-POS-24589f88-2
0.657
MAT-POS-24589f88-3
0.657
JOH-SUS-07b743f6-6
0.654
EDJ-MED-76744c27-6
0.651
MAT-POS-dc2604c4-4
0.651
MIC-UNK-482af05e-1
0.650
MAT-POS-4223bc15-22
0.650
MAT-POS-4223bc15-24
0.650
MAT-UNK-f490e871-1
0.648
JOH-UNI-ededfdb6-1
0.648
MAT-POS-5cd9ea36-13
0.648
JOH-SUS-07b743f6-7
0.645
JOH-SUS-07b743f6-5
0.645
MAT-POS-4223bc15-28
0.644
MAT-POS-4223bc15-5
0.644
MAT-POS-bf364d7a-6
0.639
MAT-POS-dc2604c4-1
0.639
MAT-POS-e194df51-1
0.639
MAT-POS-bf364d7a-5
0.639
PET-UNK-af70882d-1
0.639
EDJ-MED-76744c27-1
0.639
MAT-POS-e194df51-2
0.639
JOH-SUS-07b743f6-4
0.639
MAT-POS-5cd9ea36-1
0.639
MAT-UNK-35705829-1
0.638
EDJ-MED-76744c27-3
0.638
MAT-POS-4223bc15-3
0.637
MAT-POS-4223bc15-1
0.637
EDJ-MED-7f6e5b75-1
0.632
MAT-UNK-04ae9652-1
0.632
PET-UNK-af70882d-4
0.632
PET-UNK-af70882d-3
0.632
EDJ-MED-76744c27-5
0.632
MAT-POS-4223bc15-2
0.631
PET-UNK-d61f3ea6-2
0.631
JOH-SUS-07b743f6-2
0.631
ANN-CHE-e1757302-2
0.630
EDJ-MED-c82a5324-2
0.630
MAT-POS-5cd9ea36-17
0.629
MAT-POS-4223bc15-7
0.629
MAT-POS-5cd9ea36-2
0.629
JOH-SUS-07b743f6-3
0.627
PET-UNK-615ad708-5
0.626
ALF-EVA-07677224-3
0.626
PET-UNK-d61f3ea6-3
0.626
PET-UNK-ff046148-1
0.626
PET-UNK-615ad708-2
0.626
BRU-THA-98e973b9-1
0.625
MAT-POS-4223bc15-13
0.625
MAT-POS-bf364d7a-4
0.624
ANN-CHE-e1757302-5
0.624
EDJ-MED-fa7708b3-2
0.624
MAT-POS-bf364d7a-3
0.624
DAR-DIA-5e50e037-1
0.624
EDJ-MED-4fff0a85-4
0.624
JOH-SUS-07b743f6-1
0.622
MAT-POS-4223bc15-12
0.622
ALF-EVA-07677224-2
0.620
CLI-TLC-36f34aa2-1
0.620
PET-UNK-de87a406-1
0.620
BEN-DND-f2e727cd-6
0.620
MAT-POS-dd3ad2b5-1
0.620
EDJ-MED-1981ceba-2
0.619
BEN-DND-32596b04-7
0.619
ANN-CHE-e1757302-4
0.618
MAT-POS-5cd9ea36-18
0.618
MAT-POS-5cd9ea36-3
0.617
MAT-POS-777f5926-3
0.616
MAT-POS-777f5926-4
0.616
MAT-POS-5cd9ea36-8
0.616
MAT-POS-dc2604c4-3
0.616
ALP-POS-07e1ed01-1
0.616
MAT-POS-dd1fff26-1
0.615
ANN-CHE-e1757302-1
0.615