MMsINC Database Search


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MMsINC code: MMs03220096

Type: Neutral
Formula: C₁₁H₁₆N₂O₂

SMILES:

O(NC(=O)Nc1ccccc1)CCCC

InChI:

InChI=1/C11H16N2O2/c1-2-3-9-15-13-11(14)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0015 kcal/mol

Physical Properties
Molecular Weight: 208.261 g/mol	logS: -2.72695	SlogP: 2.5398	Reactive groups: 0

Topological Properties
Globularity: 0.0175274	Sterimol/B1: 2.52038	Sterimol/B2: 2.98688	Sterimol/B3: 3.45993
Sterimol/B4: 4.30267	Sterimol/L: 17.06

Surface and Volume Properties
Accessible surface: 471.287	Positive charged surface: 317.523	Negative charged surface: 153.764	Volume: 214.875
Hydrophobic surface: 363.65	Hydrophilic surface: 107.637

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.