MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00486023

Type: Neutral
Formula: C₁₀H₁₀N₂O₂S

SMILES:

S(=O)(=O)(N)c1cc(cc2c1nccc2)C

InChI:

InChI=1/C10H10N2O2S/c1-7-5-8-3-2-4-12-10(8)9(6-7)15(11,13)14/h2-6H,1H3,(H2,11,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.7604 kcal/mol

Physical Properties
Molecular Weight: 222.268 g/mol	logS: -2.67395	SlogP: 1.19062	Reactive groups: 0

Topological Properties
Globularity: 0.0730109	Sterimol/B1: 2.93656	Sterimol/B2: 3.46044	Sterimol/B3: 5.0118
Sterimol/B4: 5.40262	Sterimol/L: 10.7678

Surface and Volume Properties
Accessible surface: 400.221	Positive charged surface: 229.263	Negative charged surface: 165.647	Volume: 192.625
Hydrophobic surface: 265.383	Hydrophilic surface: 134.838

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.