MMsINC Database Search


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MMsINC code: MMs02139669

Type: Neutral
Formula: C₁₁H₁₄N₂O₃

SMILES:

O(NC(=O)Cc1ccccc1)C(=O)N(C)C

InChI:

InChI=1/C11H14N2O3/c1-13(2)11(15)16-12-10(14)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8185 kcal/mol

Physical Properties
Molecular Weight: 222.244 g/mol	logS: -1.8478	SlogP: 0.95847	Reactive groups: 0

Topological Properties
Globularity: 0.0634354	Sterimol/B1: 3.18515	Sterimol/B2: 3.61769	Sterimol/B3: 3.61981
Sterimol/B4: 3.99978	Sterimol/L: 15.2715

Surface and Volume Properties
Accessible surface: 464.051	Positive charged surface: 333.606	Negative charged surface: 130.445	Volume: 214.875
Hydrophobic surface: 374.87	Hydrophilic surface: 89.181

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.