MMsINC Database Search


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MMsINC code: MMs03218812

Type: Neutral
Formula: C₁₀H₁₂N₂O₃

SMILES:

O(N(C(=O)NC)c1ccccc1)C(=O)C

InChI:

InChI=1/C10H12N2O3/c1-8(13)15-12(10(14)11-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8081 kcal/mol

Physical Properties
Molecular Weight: 208.217 g/mol	logS: -1.84965	SlogP: 1.3105	Reactive groups: 0

Topological Properties
Globularity: 0.149929	Sterimol/B1: 2.13378	Sterimol/B2: 3.20254	Sterimol/B3: 3.87772
Sterimol/B4: 7.49679	Sterimol/L: 12.1825

Surface and Volume Properties
Accessible surface: 420.669	Positive charged surface: 269.616	Negative charged surface: 151.052	Volume: 193.25
Hydrophobic surface: 355.615	Hydrophilic surface: 65.054

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.