Molecular Properties | |
SMILES: | N#CC1CN(S(=O)(=O)N2CC(C(=O)Nc3cncc4ccccc34)c3cc(Cl)ccc32)C1 |
MW: | 467.08 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.4 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-d054b76b-1
0.722
EDJ-MED-1981ceba-4
0.670
DAR-DIA-0f2f46c9-10
0.632
MAR-UCB-6ab2ec87-7
0.628
DAR-DIA-0f2f46c9-5
0.625
DAR-DIA-0f2f46c9-6
0.625
DAR-DIA-0f2f46c9-4
0.625
DAR-DIA-0f2f46c9-2
0.619
DAR-DIA-0f2f46c9-3
0.619
DAR-DIA-0f2f46c9-1
0.619
MAR-UCB-6ab2ec87-6
0.617
DAR-DIA-0f2f46c9-8
0.616
DAR-DIA-0f2f46c9-9
0.616
DAR-DIA-0f2f46c9-7
0.616
RAL-THA-ee48ba5f-3
0.613
EDJ-MED-487c5e9f-6
0.594
DAR-DIA-0f2f46c9-13
0.594
DAR-DIA-0f2f46c9-14
0.594
ALP-POS-d054b76b-4
0.590
MAT-POS-4223bc15-10
0.579
EDJ-MED-0047eae5-1
0.574
EDJ-MED-139368ae-4
0.573
MAT-POS-acfe5bae-3
0.573
DAR-DIA-0f2f46c9-12
0.571
MAT-POS-24589f88-2
0.570
MAT-POS-24589f88-3
0.570
MAT-POS-dd3ad2b5-4
0.570
ALP-POS-c56c1477-3
0.569
EDJ-MED-1981ceba-2
0.567
PET-UNK-d61f3ea6-2
0.563
MAT-POS-5cd9ea36-2
0.562
ALF-EVA-07677224-3
0.561
PET-UNK-d61f3ea6-3
0.561
JOH-SUS-07b743f6-6
0.560
RAL-THA-4aa06b95-3
0.559
PET-UNK-d61f3ea6-1
0.557
MAT-POS-5cd9ea36-24
0.557
EDJ-MED-76744c27-6
0.556
RAL-THA-8416115c-2
0.556
EDG-MED-5d232de5-5
0.556
MIC-UNK-91acba05-6
0.556
MAT-POS-dc2604c4-4
0.556
EDG-MED-5d232de5-6
0.556
MAT-POS-acfe5bae-4
0.554
TET-ENA-df1c4375-1
0.554
MAT-POS-4223bc15-3
0.553
MAT-POS-4223bc15-1
0.553
MAT-POS-4223bc15-6
0.553
BEN-DND-32596b04-7
0.552
EDJ-MED-0047eae5-2
0.552
JOH-SUS-07b743f6-5
0.550
JOH-SUS-07b743f6-7
0.550
MIC-UNK-45817b9b-2
0.550
PET-UNK-d61f3ea6-4
0.550
DAR-DIA-0f2f46c9-11
0.549
MAT-POS-4223bc15-2
0.548
MAT-POS-5cd9ea36-17
0.547
MAT-POS-dc2604c4-1
0.545
MAT-POS-e194df51-1
0.545
MAT-POS-e194df51-2
0.545
JOH-SUS-07b743f6-4
0.545
RAL-THA-c11c1343-1
0.545
RAL-THA-4aa06b95-1
0.545
EDG-MED-5d232de5-3
0.545
EDG-MED-5d232de5-4
0.545
ALP-POS-966f8da6-2
0.545
PET-UNK-162c14b2-1
0.544
PET-UNK-4d432d33-6
0.544
MAT-POS-61f37a1a-12
0.544
PET-UNK-4d432d33-2
0.544
MAT-POS-4223bc15-13
0.543
BRU-THA-d60fe444-1
0.543
RAL-THA-ee48ba5f-4
0.543
BRU-THA-98e973b9-1
0.543
BEN-DND-32596b04-2
0.541
EDJ-MED-1981ceba-5
0.541
EDJ-MED-1981ceba-1
0.541
MAT-POS-dd3ad2b5-3
0.539
MAT-POS-4223bc15-19
0.539
RAL-THA-4aa06b95-6
0.539
RAL-THA-8416115c-3
0.539
MAT-POS-dd3ad2b5-2
0.539
RAL-THA-6e4c80cf-1
0.539
PET-UNK-9b23ef84-2
0.539
RAL-THA-8416115c-8
0.538
PET-UNK-5ad1c31a-7
0.538
PET-UNK-5ad1c31a-1
0.538
MAT-POS-5cd9ea36-3
0.537
BEN-DND-32596b04-1
0.536
MAT-POS-4223bc15-11
0.536
JOH-SUS-07b743f6-3
0.536
BEN-DND-f2e727cd-6
0.535
MAT-POS-dd3ad2b5-1
0.535
RAL-THA-ee48ba5f-5
0.533
MAT-POS-4223bc15-33
0.533
MAT-POS-4223bc15-5
0.533
MAT-POS-4223bc15-7
0.533
MAT-POS-4223bc15-15
0.533
PET-UNK-615ad708-2
0.532
PET-UNK-615ad708-5
0.532