Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1c2cc(Cl)ccc2CCN1S(=O)(=O)CC1CC1 |
MW: | 455.11 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-036ae2e9-3
0.828
EDJ-MED-036ae2e9-9
0.800
EDJ-MED-036ae2e9-7
0.791
EDJ-MED-036ae2e9-11
0.777
EDJ-MED-b774e9fe-2
0.753
EDJ-MED-2791eece-6
0.753
EDJ-MED-036ae2e9-12
0.750
EDJ-MED-2791eece-10
0.747
EDJ-MED-2791eece-8
0.728
EDJ-MED-b774e9fe-3
0.728
EDJ-MED-487c5e9f-3
0.727
EDJ-MED-2791eece-11
0.720
EDJ-MED-487c5e9f-9
0.705
EDJ-MED-487c5e9f-12
0.692
EDJ-MED-487c5e9f-11
0.687
EDJ-MED-487c5e9f-5
0.680
EDJ-MED-487c5e9f-8
0.680
EDJ-MED-487c5e9f-7
0.677
EDJ-MED-487c5e9f-10
0.677
EDJ-MED-487c5e9f-2
0.667
EDJ-MED-487c5e9f-6
0.663
MAT-POS-fb82b63d-4
0.656
MAT-POS-fb82b63d-3
0.645
EDJ-MED-036ae2e9-1
0.642
ALP-POS-d054b76b-2
0.632
EDJ-MED-b774e9fe-1
0.632
EDJ-MED-2791eece-2
0.632
EDJ-MED-036ae2e9-6
0.624
EDJ-MED-2791eece-1
0.622
EDJ-MED-2791eece-12
0.619
EDJ-MED-2791eece-3
0.614
EDJ-MED-036ae2e9-2
0.612
EDJ-MED-2791eece-5
0.610
EDJ-MED-2791eece-4
0.604
EDJ-MED-2791eece-7
0.598
EDJ-MED-036ae2e9-5
0.594
EDJ-MED-76744c27-3
0.592
EDJ-MED-487c5e9f-4
0.575
EDJ-MED-036ae2e9-4
0.571
EDJ-MED-487c5e9f-1
0.570
EDJ-MED-2791eece-9
0.570
ALP-POS-d054b76b-4
0.566
EDJ-MED-036ae2e9-8
0.561
MAT-POS-4223bc15-14
0.541
ALP-POS-477dc5b7-1
0.541
MIC-UNK-91acba05-4
0.541
ANN-CHE-e1757302-5
0.536
DAR-DIA-4987d2cd-3
0.533
EDJ-MED-4fff0a85-1
0.531
MAT-POS-4223bc15-6
0.529
MAT-POS-fb82b63d-1
0.525
DAR-DIA-4987d2cd-4
0.524
EDJ-MED-4fff0a85-4
0.523
MAT-POS-bf364d7a-4
0.523
MAT-POS-bf364d7a-3
0.523
BRU-THA-d60fe444-1
0.519
MAT-POS-24589f88-3
0.515
MAT-POS-dd3ad2b5-4
0.515
MAT-POS-24589f88-2
0.515
MAT-POS-4223bc15-3
0.514
PET-UNK-af70882d-4
0.514
MAT-POS-5cd9ea36-9
0.514
ANN-CHE-e1757302-1
0.514
MAT-POS-5cd9ea36-11
0.514
MAT-POS-4223bc15-5
0.509
PET-UNK-af70882d-2
0.509
MAT-POS-4223bc15-13
0.505
MAT-POS-5cd9ea36-24
0.505
EDJ-MED-76744c27-2
0.504
EDJ-MED-76744c27-7
0.504
PET-UNK-af70882d-3
0.500
EDJ-MED-76744c27-5
0.500
DAR-DIA-0f2f46c9-3
0.500
DAR-DIA-0f2f46c9-1
0.500
EDJ-MED-4fff0a85-2
0.500
DAR-DIA-0f2f46c9-2
0.500
EDJ-MED-1981ceba-2
0.500
MAT-POS-4223bc15-1
0.500
MAT-POS-4223bc15-4
0.500
JOH-SUS-07b743f6-3
0.500
EDJ-MED-7f6e5b75-1
0.500
XIA-UNK-284f966f-1
0.496
PET-UNK-94036022-8
0.496
ANN-CHE-e1757302-3
0.496
PET-UNK-94036022-1
0.496
MAT-POS-e194df51-1
0.496
MAT-POS-e194df51-2
0.496
MAT-POS-dc2604c4-1
0.496
PET-UNK-ff046148-1
0.495
PET-UNK-615ad708-5
0.495
PET-UNK-615ad708-2
0.495
MAT-POS-5cd9ea36-2
0.495
MAT-POS-5cd9ea36-17
0.495
MAT-POS-4223bc15-15
0.495
RAL-THA-ee48ba5f-5
0.495
MAT-POS-4223bc15-2
0.495
PET-UNK-d61f3ea6-2
0.495
DAR-DIA-0f2f46c9-10
0.495
MAT-POS-5cd9ea36-12
0.491
ANN-CHE-e1757302-4
0.491