MMsINC Database Search


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MMsINC code: MMs00060337

Type: Neutral
Formula: C₁₀H₁₆N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)NCc1ccc(OC)cc1

InChI:

InChI=1/C10H16N2O3S/c1-12(2)16(13,14)11-8-9-4-6-10(15-3)7-5-9/h4-7,11H,8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-7.53412 kcal/mol

Physical Properties
Molecular Weight: 244.315 g/mol	logS: -0.99015	SlogP: 0.8576	Reactive groups: 0

Topological Properties
Globularity: 0.0683163	Sterimol/B1: 3.08791	Sterimol/B2: 3.50515	Sterimol/B3: 4.03211
Sterimol/B4: 5.13643	Sterimol/L: 15.2171

Surface and Volume Properties
Accessible surface: 468.665	Positive charged surface: 337.526	Negative charged surface: 131.139	Volume: 226.25
Hydrophobic surface: 374.191	Hydrophilic surface: 94.474

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

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Ions/Tautomers related molecules: no related molecules available.