MMsINC Database Search


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MMsINC code: MMs00652511

Type: Neutral
Formula: C₁₆H₁₄Cl₂O₅

SMILES:

Clc1cc(Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C16H14Cl2O5/c1-20-13-6-9(7-14(21-2)15(13)22-3)16(19)23-12-5-4-10(17)8-11(12)18/h4-8H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.905 kcal/mol

Physical Properties
Molecular Weight: 357.189 g/mol	logS: -5.11866	SlogP: 4.2384	Reactive groups: 0

Topological Properties
Globularity: 0.0728623	Sterimol/B1: 2.23945	Sterimol/B2: 4.07293	Sterimol/B3: 4.55339
Sterimol/B4: 9.5148	Sterimol/L: 17.3722

Surface and Volume Properties
Accessible surface: 586.463	Positive charged surface: 353.865	Negative charged surface: 232.598	Volume: 305.25
Hydrophobic surface: 543.001	Hydrophilic surface: 43.462

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.