MMsINC Database Search


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MMsINC code: MMs02609786

Type: Neutral
Formula: C₁₀H₁₄N₂O₂S

SMILES:

S(=O)(=O)(N(C)C)c1c2NCCc2ccc1

InChI:

InChI=1/C10H14N2O2S/c1-12(2)15(13,14)9-5-3-4-8-6-7-11-10(8)9/h3-5,11H,6-7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3261 kcal/mol

Physical Properties
Molecular Weight: 226.3 g/mol	logS: -1.27877	SlogP: 0.90487	Reactive groups: 0

Topological Properties
Globularity: 0.15385	Sterimol/B1: 2.85159	Sterimol/B2: 3.43091	Sterimol/B3: 4.09795
Sterimol/B4: 6.7402	Sterimol/L: 10.7773

Surface and Volume Properties
Accessible surface: 406.244	Positive charged surface: 291.661	Negative charged surface: 114.582	Volume: 206
Hydrophobic surface: 326.221	Hydrophilic surface: 80.023

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.