MMsINC Database Search


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MMsINC code: MMs00276193

Type: Neutral
Formula: C₁₁H₁₄ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)NCCCOC

InChI:

InChI=1/C11H14ClNO2/c1-15-8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.181 kcal/mol

Physical Properties
Molecular Weight: 227.691 g/mol	logS: -2.60971	SlogP: 2.1063	Reactive groups: 0

Topological Properties
Globularity: 0.0141526	Sterimol/B1: 2.37515	Sterimol/B2: 2.37568	Sterimol/B3: 3.65037
Sterimol/B4: 4.34498	Sterimol/L: 16.8937

Surface and Volume Properties
Accessible surface: 468.495	Positive charged surface: 291.039	Negative charged surface: 177.456	Volume: 216.375
Hydrophobic surface: 415.169	Hydrophilic surface: 53.326

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.