MMsINC Database Search


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MMsINC code: MMs00526609

Type: Neutral
Formula: C₁₁H₁₄N₂O₃

SMILES:

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

InChI:

InChI=1/C11H14N2O3/c1-16-11(15)13-9(10(12)14)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,12,14)(H,13,15)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.123 kcal/mol

Physical Properties
Molecular Weight: 222.244 g/mol	logS: -1.94786	SlogP: 0.43897	Reactive groups: 0

Topological Properties
Globularity: 0.159208	Sterimol/B1: 2.35661	Sterimol/B2: 3.04544	Sterimol/B3: 3.93461
Sterimol/B4: 8.2444	Sterimol/L: 11.5439

Surface and Volume Properties
Accessible surface: 444.249	Positive charged surface: 289.146	Negative charged surface: 155.103	Volume: 213.125
Hydrophobic surface: 301.877	Hydrophilic surface: 142.372

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.