MMsINC Database Search


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MMsINC code: MMs02254985

Type: Neutral
Formula: C₁₅H₈Cl₂O₄

SMILES:

ClC=1C(Oc2c(cc(Cl)cc2)C=1Oc1ccccc1O)=O

InChI:

InChI=1/C15H8Cl2O4/c16-8-5-6-11-9(7-8)14(13(17)15(19)21-11)20-12-4-2-1-3-10(12)18/h1-7,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.6223 kcal/mol

Physical Properties
Molecular Weight: 323.131 g/mol	logS: -5.79291	SlogP: 4.0599	Reactive groups: 0

Topological Properties
Globularity: 0.181577	Sterimol/B1: 2.97654	Sterimol/B2: 5.15548	Sterimol/B3: 5.2864
Sterimol/B4: 6.7232	Sterimol/L: 12.3242

Surface and Volume Properties
Accessible surface: 492.306	Positive charged surface: 196.364	Negative charged surface: 295.942	Volume: 258
Hydrophobic surface: 383.418	Hydrophilic surface: 108.888

Pharmacophoric Properties
Hydrogen bond donors: 1	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.