MMsINC Database Search


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MMsINC code: MMs00745963

Type: Neutral
Formula: C₁₅H₁₄Cl₂O₃

SMILES:

Clc1cccc(Cl)c1OCCOc1ccc(OC)cc1

InChI:

InChI=1/C15H14Cl2O3/c1-18-11-5-7-12(8-6-11)19-9-10-20-15-13(16)3-2-4-14(15)17/h2-8H,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1057 kcal/mol

Physical Properties
Molecular Weight: 313.18 g/mol	logS: -4.79894	SlogP: 4.4598	Reactive groups: 0

Topological Properties
Globularity: 0.0222085	Sterimol/B1: 2.76298	Sterimol/B2: 3.49125	Sterimol/B3: 4.18133
Sterimol/B4: 5.077	Sterimol/L: 18.0134

Surface and Volume Properties
Accessible surface: 539.22	Positive charged surface: 297.502	Negative charged surface: 241.718	Volume: 278.25
Hydrophobic surface: 523.006	Hydrophilic surface: 16.214

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.