MMsINC Database Search


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MMsINC code: MMs02202274

Type: Neutral
Formula: C₁₁H₁₅NO₂

SMILES:

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

InChI:

InChI=1/C11H15NO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H2,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8191 kcal/mol

Physical Properties
Molecular Weight: 193.246 g/mol	logS: -2.73158	SlogP: 1.9644	Reactive groups: 0

Topological Properties
Globularity: 0.0156991	Sterimol/B1: 2.37536	Sterimol/B2: 2.37601	Sterimol/B3: 3.16908
Sterimol/B4: 4.55992	Sterimol/L: 15.0724

Surface and Volume Properties
Accessible surface: 431.344	Positive charged surface: 286.111	Negative charged surface: 145.233	Volume: 200.625
Hydrophobic surface: 298.637	Hydrophilic surface: 132.707

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.