MMsINC Database Search


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MMsINC code: MMs02658707

Type: Neutral
Formula: C₁₄H₁₂Cl₂O₂

SMILES:

Clc1cc(OC)c(Cl)cc1OCc1ccccc1

InChI:

InChI=1/C14H12Cl2O2/c1-17-13-7-12(16)14(8-11(13)15)18-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.0146 kcal/mol

Physical Properties
Molecular Weight: 283.154 g/mol	logS: -4.72212	SlogP: 4.8474	Reactive groups: 0

Topological Properties
Globularity: 0.0596526	Sterimol/B1: 3.61753	Sterimol/B2: 3.61851	Sterimol/B3: 4.35232
Sterimol/B4: 5.62241	Sterimol/L: 16.2342

Surface and Volume Properties
Accessible surface: 512.691	Positive charged surface: 256.987	Negative charged surface: 255.705	Volume: 251.75
Hydrophobic surface: 501.754	Hydrophilic surface: 10.937

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.