MMsINC Database Search


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MMsINC code: MMs02319897

Type: Neutral
Formula: C₁₁H₁₄Cl₂O

SMILES:

Clc1cc(Cl)cc(CCCCC)c1O

InChI:

InChI=1/C11H14Cl2O/c1-2-3-4-5-8-6-9(12)7-10(13)11(8)14/h6-7,14H,2-5H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.669 kcal/mol

Physical Properties
Molecular Weight: 233.138 g/mol	logS: -4.71286	SlogP: 4.43167	Reactive groups: 0

Topological Properties
Globularity: 0.0717597	Sterimol/B1: 2.73276	Sterimol/B2: 3.33706	Sterimol/B3: 4.55786
Sterimol/B4: 4.89825	Sterimol/L: 13.52

Surface and Volume Properties
Accessible surface: 449.628	Positive charged surface: 230.786	Negative charged surface: 218.842	Volume: 216
Hydrophobic surface: 392.113	Hydrophilic surface: 57.515

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.