Molecular Properties | |
SMILES: | N#CC1CN(S(=O)(=O)N2Cc3ccc(Cl)cc3C2C(=O)Nc2cncc3ccccc23)C1 |
MW: | 467.08 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.4 |
cLogP: | 3.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-487c5e9f-6
0.773
ALP-POS-d054b76b-2
0.710
EDJ-MED-1981ceba-4
0.667
RAL-THA-ee48ba5f-3
0.611
EDJ-MED-487c5e9f-8
0.607
EDJ-MED-036ae2e9-7
0.606
EDJ-MED-2791eece-6
0.600
EDJ-MED-b774e9fe-2
0.600
EDJ-MED-b774e9fe-3
0.598
EDJ-MED-2791eece-8
0.598
EDJ-MED-036ae2e9-3
0.598
ALP-POS-d054b76b-3
0.590
EDJ-MED-487c5e9f-7
0.589
EDJ-MED-487c5e9f-10
0.589
MAT-POS-dd3ad2b5-4
0.584
MAT-POS-24589f88-2
0.584
MAT-POS-24589f88-3
0.584
EDJ-MED-2791eece-10
0.583
EDJ-MED-036ae2e9-12
0.578
MAT-POS-4223bc15-10
0.578
EDJ-MED-2791eece-11
0.577
PET-UNK-6da3dcd8-7
0.573
EDJ-MED-487c5e9f-2
0.568
EDJ-MED-2791eece-1
0.567
EDJ-MED-036ae2e9-9
0.566
BEN-DND-32596b04-7
0.566
EDJ-MED-036ae2e9-10
0.566
EDJ-MED-487c5e9f-9
0.566
JOH-SUS-07b743f6-5
0.564
PET-UNK-d61f3ea6-3
0.560
PET-UNK-6da3dcd8-6
0.558
DAR-DIA-4987d2cd-3
0.557
MAT-POS-5cd9ea36-24
0.556
PET-UNK-6da3dcd8-5
0.553
MAT-POS-4223bc15-3
0.552
MAT-POS-4223bc15-6
0.552
MAT-POS-4223bc15-1
0.552
EDJ-MED-1981ceba-2
0.551
EDJ-MED-487c5e9f-5
0.550
JOH-SUS-07b743f6-7
0.550
DAR-DIA-4987d2cd-4
0.547
MAT-POS-4223bc15-2
0.547
PET-UNK-d61f3ea6-2
0.547
MAT-POS-5cd9ea36-2
0.546
ALF-EVA-07677224-3
0.545
JOH-SUS-07b743f6-4
0.545
JOH-SUS-07b743f6-6
0.545
PET-UNK-162c14b2-1
0.543
MAT-POS-61f37a1a-12
0.543
RAL-THA-ee48ba5f-4
0.542
BRU-THA-98e973b9-1
0.542
BRU-THA-d60fe444-1
0.542
MAT-POS-4223bc15-13
0.542
EDJ-MED-76744c27-3
0.541
PET-UNK-d61f3ea6-1
0.541
EDJ-MED-1981ceba-3
0.541
MAT-POS-dc2604c4-4
0.541
EDJ-MED-76744c27-6
0.541
ALF-EVA-07677224-2
0.541
EDJ-MED-036ae2e9-11
0.541
EDJ-MED-487c5e9f-11
0.541
MAT-POS-fb82b63d-3
0.539
EDJ-MED-487c5e9f-12
0.538
EDJ-MED-2791eece-4
0.537
MAT-POS-5cd9ea36-3
0.536
MAT-POS-4223bc15-16
0.534
RAL-THA-ee48ba5f-5
0.533
MAT-POS-4223bc15-5
0.532
MAT-POS-4223bc15-7
0.532
MAT-POS-5cd9ea36-17
0.532
MAT-POS-4223bc15-15
0.532
PET-UNK-af70882d-1
0.531
MAT-POS-dc2604c4-1
0.531
MAT-POS-bf364d7a-5
0.531
MAT-POS-5cd9ea36-1
0.531
EDJ-MED-76744c27-1
0.531
DAR-DIA-5e50e037-1
0.531
ANN-CHE-e1757302-5
0.531
MAT-POS-e194df51-1
0.531
MAT-POS-e194df51-2
0.531
EDJ-MED-036ae2e9-5
0.531
MAT-POS-bf364d7a-6
0.531
BEN-DND-32596b04-9
0.531
MAT-POS-5cd9ea36-21
0.530
EDJ-MED-b774e9fe-1
0.529
EDJ-MED-2791eece-2
0.529
EDJ-MED-139368ae-4
0.528
MAT-POS-4223bc15-29
0.527
MAT-POS-5cd9ea36-4
0.527
BEN-DND-32596b04-2
0.527
EDJ-MED-1981ceba-1
0.527
EDJ-MED-1981ceba-5
0.527
BEN-DND-32596b04-8
0.527
PET-UNK-de87a406-1
0.527
MAT-POS-5cd9ea36-18
0.526
RAL-THA-6e4c80cf-1
0.524
EDJ-MED-036ae2e9-1
0.524
MAT-POS-4223bc15-19
0.524
MAT-POS-4223bc15-22
0.523
MAT-POS-4223bc15-9
0.523