MMsINC Database Search


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MMsINC code: MMs02005026

Type: Neutral
Formula: C₁₀H₁₂N₂O₂

SMILES:

O=C(Nc1ccc(cc1)C)C(=O)NC

InChI:

InChI=1/C10H12N2O2/c1-7-3-5-8(6-4-7)12-10(14)9(13)11-2/h3-6H,1-2H3,(H,11,13)(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0207 kcal/mol

Physical Properties
Molecular Weight: 192.218 g/mol	logS: -2.23346	SlogP: 0.67952	Reactive groups: 0

Topological Properties
Globularity: 0.0179124	Sterimol/B1: 2.51372	Sterimol/B2: 2.58377	Sterimol/B3: 3.10542
Sterimol/B4: 4.53982	Sterimol/L: 14.4349

Surface and Volume Properties
Accessible surface: 416.55	Positive charged surface: 279.063	Negative charged surface: 137.487	Volume: 188.5
Hydrophobic surface: 309.857	Hydrophilic surface: 106.693

Pharmacophoric Properties
Hydrogen bond donors: 2	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.