MMsINC Database Search


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MMsINC code: MMs03943566

Type: Neutral
Formula: C₁₁H₁₅NO₂

SMILES:

O(Cc1ccccc1)C(=O)NCCC

InChI:

InChI=1/C11H15NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.24764 kcal/mol

Physical Properties
Molecular Weight: 193.246 g/mol	logS: -2.13681	SlogP: 2.5892	Reactive groups: 0

Topological Properties
Globularity: 0.0582691	Sterimol/B1: 2.63633	Sterimol/B2: 3.62138	Sterimol/B3: 3.6222
Sterimol/B4: 3.92513	Sterimol/L: 15.5532

Surface and Volume Properties
Accessible surface: 441.992	Positive charged surface: 296.197	Negative charged surface: 145.795	Volume: 202.375
Hydrophobic surface: 349.387	Hydrophilic surface: 92.605

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.