MMsINC Database Search


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MMsINC code: MMs00081964

Type: Neutral
Formula: C₁₁H₁₄N₂O₂

SMILES:

O=C(N(C)c1ccc(NC(=O)C)cc1)C

InChI:

InChI=1/C11H14N2O2/c1-8(14)12-10-4-6-11(7-5-10)13(3)9(2)15/h4-7H,1-3H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6027 kcal/mol

Physical Properties
Molecular Weight: 206.245 g/mol	logS: -1.69779	SlogP: 1.6277	Reactive groups: 0

Topological Properties
Globularity: 0.0209632	Sterimol/B1: 2.31683	Sterimol/B2: 2.91618	Sterimol/B3: 3.7093
Sterimol/B4: 3.99286	Sterimol/L: 14.1038

Surface and Volume Properties
Accessible surface: 421.771	Positive charged surface: 274.092	Negative charged surface: 147.678	Volume: 201.625
Hydrophobic surface: 338.667	Hydrophilic surface: 83.104

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.