MMsINC Database Search


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MMsINC code: MMs00629026

Type: Neutral
Formula: C₁₄H₁₉NO₂

SMILES:

O=C(C)c1cc(NC(=O)C(CC)CC)ccc1

InChI:

InChI=1/C14H19NO2/c1-4-11(5-2)14(17)15-13-8-6-7-12(9-13)10(3)16/h6-9,11H,4-5H2,1-3H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0994 kcal/mol

Physical Properties
Molecular Weight: 233.311 g/mol	logS: -3.34058	SlogP: 3.2639	Reactive groups: 0

Topological Properties
Globularity: 0.0333599	Sterimol/B1: 2.84104	Sterimol/B2: 2.99652	Sterimol/B3: 3.56854
Sterimol/B4: 6.16237	Sterimol/L: 14.0975

Surface and Volume Properties
Accessible surface: 480.842	Positive charged surface: 303.588	Negative charged surface: 177.254	Volume: 245.375
Hydrophobic surface: 368.09	Hydrophilic surface: 112.752

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.