Molecular Properties | |
SMILES: | N#CCN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 426.06 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 103.16 |
cLogP: | 3.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
N-C-Hal or cyano methyl
cyanamide
PET-UNK-5ad1c31a-1
1.000
PET-UNK-5ad1c31a-2
0.841
PET-UNK-5ad1c31a-8
0.841
MIC-UNK-54748b58-1
0.734
ALP-POS-a577c8a2-2
0.703
ALP-POS-a577c8a2-3
0.693
PET-UNK-4d432d33-6
0.612
MAT-POS-61f37a1a-12
0.612
PET-UNK-4d432d33-2
0.612
PET-UNK-162c14b2-1
0.612
PET-UNK-022eab87-1
0.585
LUO-POS-868e8996-14
0.573
MAT-POS-66a736cf-1
0.573
LUO-POS-868e8996-13
0.573
MAR-UCB-6ab2ec87-6
0.573
MIC-UNK-91acba05-3
0.573
MAT-POS-dd3ad2b5-1
0.571
BEN-DND-f2e727cd-6
0.571
MAT-POS-4223bc15-33
0.567
MAT-POS-5cd9ea36-24
0.562
MAT-POS-af1eef35-3
0.561
EDJ-MED-e18764cb-2
0.561
ALP-POS-a577c8a2-1
0.561
BEN-DND-d6f8d3c6-1
0.561
MAT-POS-24589f88-2
0.560
MAT-POS-24589f88-3
0.560
MAT-POS-dd3ad2b5-2
0.560
MAT-POS-dd3ad2b5-4
0.560
PET-UNK-9b23ef84-2
0.560
PET-UNK-4d432d33-1
0.559
PET-UNK-4d432d33-5
0.559
EDJ-MED-e9a22d5d-1
0.559
RAL-THA-ee48ba5f-5
0.553
EDJ-MED-12c4873b-3
0.553
MIC-UNK-54748b58-3
0.552
MIC-UNK-54748b58-4
0.551
MAT-POS-5cd9ea36-15
0.551
MAR-UCB-6ab2ec87-7
0.551
JOH-SUS-07b743f6-6
0.550
MAT-POS-4223bc15-21
0.549
EDJ-MED-eb111c00-3
0.549
EDJ-MED-c40d95bc-2
0.549
MAT-POS-4223bc15-25
0.549
EDJ-MED-76744c27-6
0.546
MAT-POS-dc2604c4-4
0.546
EDJ-MED-eb111c00-1
0.545
MIC-UNK-91acba05-2
0.545
MAT-POS-dd3ad2b5-3
0.545
RAL-THA-6e4c80cf-1
0.545
MAT-POS-4223bc15-19
0.545
MAT-POS-4223bc15-6
0.544
MAT-POS-4223bc15-20
0.543
CLI-TLC-3a13eaf2-1
0.543
RAL-THA-6e4c80cf-2
0.543
MAT-POS-4223bc15-24
0.543
ALP-POS-d054b76b-1
0.540
PET-UNK-f860268d-2
0.539
PET-UNK-f860268d-5
0.539
MAT-POS-4223bc15-27
0.538
MIC-UNK-482af05e-2
0.538
MAT-POS-8293a91a-5
0.538
MAT-POS-4223bc15-26
0.538
MAT-POS-8293a91a-4
0.538
MAT-POS-4223bc15-23
0.538
ALP-POS-d054b76b-3
0.538
EDJ-MED-1981ceba-4
0.537
EDJ-MED-4fff0a85-4
0.536
MAT-POS-bf364d7a-3
0.536
MAT-POS-bf364d7a-4
0.536
MAT-POS-4223bc15-18
0.534
RAL-THA-ee48ba5f-4
0.533
EDJ-MED-eb111c00-4
0.533
BRU-THA-d60fe444-1
0.533
MIC-UNK-482af05e-3
0.533
MAT-POS-4223bc15-35
0.533
RAL-THA-ee48ba5f-1
0.533
MAT-UNK-35705829-1
0.533
EDJ-MED-fa7708b3-1
0.533
EDJ-MED-eb111c00-2
0.533
EDJ-MED-1981ceba-1
0.532
RAL-THA-ee48ba5f-3
0.532
MAT-POS-5cd9ea36-18
0.532
EDJ-MED-2791eece-1
0.529
MAT-POS-dd3ad2b5-5
0.529
MAT-POS-4223bc15-1
0.529
MAT-POS-4223bc15-3
0.529
MAT-POS-4223bc15-17
0.529
EDJ-MED-1981ceba-2
0.528
MIC-UNK-482af05e-1
0.528
BEN-DND-32596b04-7
0.528
MAT-POS-4223bc15-22
0.528
PET-UNK-af70882d-4
0.528
LUO-POS-868e8996-3
0.528
EDJ-MED-7f6e5b75-1
0.528
RAL-THA-a9c31980-1
0.528
LUO-POS-868e8996-4
0.528
JOH-UNI-ededfdb6-1
0.528
ALP-POS-b3e0acc5-1
0.528
JOH-SUS-07b743f6-3
0.527
MIC-UNK-482af05e-4
0.524