MMsINC Database Search


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MMsINC code: MMs00733459

Type: Neutral
Formula: C₁₅H₁₄Cl₂O₂

SMILES:

Clc1cc(OCCCOc2cc(Cl)ccc2)ccc1

InChI:

InChI=1/C15H14Cl2O2/c16-12-4-1-6-14(10-12)18-8-3-9-19-15-7-2-5-13(17)11-15/h1-2,4-7,10-11H,3,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3345 kcal/mol

Physical Properties
Molecular Weight: 297.181 g/mol	logS: -4.95033	SlogP: 4.8413	Reactive groups: 0

Topological Properties
Globularity: 0.00767929	Sterimol/B1: 2.37483	Sterimol/B2: 2.37532	Sterimol/B3: 3.20876
Sterimol/B4: 5.90078	Sterimol/L: 17.0201

Surface and Volume Properties
Accessible surface: 549.041	Positive charged surface: 256.687	Negative charged surface: 292.354	Volume: 272
Hydrophobic surface: 536.007	Hydrophilic surface: 13.034

Pharmacophoric Properties
Hydrogen bond donors: 0	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.