Molecular Properties | |
SMILES: | N#CCS(=O)(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 440.07 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 103.16 |
cLogP: | 3.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-036ae2e9-3
0.818
EDJ-MED-036ae2e9-12
0.798
EDJ-MED-036ae2e9-9
0.791
EDJ-MED-036ae2e9-10
0.791
EDJ-MED-487c5e9f-9
0.753
EDJ-MED-036ae2e9-11
0.750
EDJ-MED-2791eece-6
0.744
EDJ-MED-b774e9fe-2
0.744
EDJ-MED-b774e9fe-3
0.739
EDJ-MED-2791eece-8
0.739
EDJ-MED-2791eece-10
0.739
EDJ-MED-487c5e9f-12
0.735
EDJ-MED-487c5e9f-2
0.727
EDJ-MED-487c5e9f-3
0.720
EDJ-MED-2791eece-11
0.713
EDJ-MED-487c5e9f-6
0.707
EDJ-MED-2791eece-1
0.684
EDJ-MED-2791eece-4
0.680
EDJ-MED-487c5e9f-11
0.680
EDJ-MED-487c5e9f-5
0.673
EDJ-MED-487c5e9f-7
0.670
EDJ-MED-487c5e9f-10
0.670
EDJ-MED-487c5e9f-8
0.657
ALP-POS-d054b76b-2
0.642
MAT-POS-fb82b63d-3
0.638
EDJ-MED-b774e9fe-1
0.625
EDJ-MED-2791eece-2
0.625
EDJ-MED-036ae2e9-5
0.619
EDJ-MED-036ae2e9-1
0.619
MAT-POS-5cd9ea36-24
0.618
MAT-POS-fb82b63d-4
0.616
EDJ-MED-2791eece-12
0.612
EDJ-MED-036ae2e9-2
0.606
ALP-POS-d054b76b-4
0.606
EDJ-MED-2791eece-5
0.604
EDJ-MED-036ae2e9-6
0.602
EDJ-MED-2791eece-3
0.592
EDJ-MED-2791eece-7
0.592
EDJ-MED-487c5e9f-4
0.585
EDJ-MED-036ae2e9-4
0.566
EDJ-MED-2791eece-9
0.565
EDJ-MED-487c5e9f-1
0.565
EDJ-MED-036ae2e9-8
0.556
MAT-POS-dc2604c4-4
0.541
EDJ-MED-76744c27-6
0.541
MAT-POS-4223bc15-6
0.538
JOH-SUS-07b743f6-3
0.536
MAT-POS-fb82b63d-1
0.535
DAR-DIA-4987d2cd-4
0.533
PET-UNK-d61f3ea6-3
0.532
PET-UNK-af70882d-1
0.532
MAT-POS-dc2604c4-1
0.532
MAT-POS-bf364d7a-5
0.532
MAT-POS-5cd9ea36-1
0.532
EDJ-MED-76744c27-1
0.532
MAT-POS-e194df51-1
0.532
MAT-POS-e194df51-2
0.532
JOH-SUS-07b743f6-6
0.532
MAT-POS-bf364d7a-6
0.532
PET-UNK-162c14b2-1
0.529
MAT-POS-61f37a1a-12
0.529
DAR-DIA-4987d2cd-3
0.528
BRU-THA-d60fe444-1
0.528
EDJ-MED-76744c27-3
0.528
MAT-POS-5cd9ea36-8
0.526
MAT-POS-dd3ad2b5-4
0.524
MAT-POS-24589f88-2
0.524
MAT-POS-24589f88-3
0.524
MAT-POS-4223bc15-3
0.524
MIC-UNK-91acba05-4
0.520
ALP-POS-477dc5b7-1
0.520
MAT-POS-4223bc15-5
0.519
MAT-POS-4223bc15-7
0.519
PET-UNK-af70882d-2
0.518
ALF-EVA-07677224-3
0.518
EDJ-MED-1981ceba-4
0.518
BEN-DND-32596b04-9
0.518
MAT-POS-4223bc15-12
0.518
MAT-POS-5cd9ea36-21
0.518
MAT-POS-4223bc15-13
0.514
ALF-EVA-07677224-2
0.514
MAT-POS-5cd9ea36-18
0.513
ALP-POS-07e1ed01-1
0.513
MAT-POS-777f5926-4
0.513
MAT-POS-777f5926-3
0.513
MAT-POS-dc2604c4-3
0.513
MAT-POS-4223bc15-1
0.509
EDJ-MED-1981ceba-2
0.509
PET-UNK-af70882d-3
0.509
PET-UNK-af70882d-4
0.509
EDJ-MED-76744c27-5
0.509
EDJ-MED-7f6e5b75-1
0.509
ANN-CHE-e1757302-1
0.509
EDJ-MED-4fff0a85-2
0.509
MAT-POS-5cd9ea36-9
0.509
MAT-POS-4223bc15-10
0.509
MAT-POS-5cd9ea36-5
0.509
ALP-POS-07e1ed01-2
0.509
MAT-POS-4223bc15-2
0.505
RAL-THA-ee48ba5f-5
0.505