MMsINC Database Search


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MMsINC code: MMs03384069

Type: Neutral
Formula: C₁₄H₂₀Cl₂O

SMILES:

Clc1cc(Cl)ccc1OC(CCCCCC)C

InChI:

InChI=1/C14H20Cl2O/c1-3-4-5-6-7-11(2)17-14-9-8-12(15)10-13(14)16/h8-11H,3-7H2,1-2H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.2551 kcal/mol

Physical Properties
Molecular Weight: 275.219 g/mol	logS: -5.82091	SlogP: 5.7311	Reactive groups: 0

Topological Properties
Globularity: 0.0693342	Sterimol/B1: 3.20389	Sterimol/B2: 3.27395	Sterimol/B3: 4.98339
Sterimol/B4: 6.44744	Sterimol/L: 16.5901

Surface and Volume Properties
Accessible surface: 540.006	Positive charged surface: 303.973	Negative charged surface: 236.033	Volume: 269.5
Hydrophobic surface: 496.963	Hydrophilic surface: 43.043

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.