MMsINC Database Search


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MMsINC code: MMs02355117

Type: Neutral
Formula: C₁₁H₁₄Cl₂O

SMILES:

Clc1cc(Cl)ccc1OCCCCC

InChI:

InChI=1/C11H14Cl2O/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h5-6,8H,2-4,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.349 kcal/mol

Physical Properties
Molecular Weight: 233.138 g/mol	logS: -4.46326	SlogP: 4.5624	Reactive groups: 0

Topological Properties
Globularity: 0.0217573	Sterimol/B1: 2.3766	Sterimol/B2: 2.37833	Sterimol/B3: 3.46515
Sterimol/B4: 5.59116	Sterimol/L: 15.9704

Surface and Volume Properties
Accessible surface: 466.606	Positive charged surface: 245.615	Negative charged surface: 220.991	Volume: 219.5
Hydrophobic surface: 441.137	Hydrophilic surface: 25.469

Pharmacophoric Properties
Hydrogen bond donors: 0	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.