MMsINC Database Search


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MMsINC code: MMs02256058

Type: Neutral
Formula: C₂₀H₁₆Cl₂O₄

SMILES:

Clc1c(-c2ccc(OC)cc2)c(O)c(Cl)c(-c2ccc(OC)cc2)c1O

InChI:

InChI=1/C20H16Cl2O4/c1-25-13-7-3-11(4-8-13)15-17(21)20(24)16(18(22)19(15)23)12-5-9-14(26-2)10-6-12/h3-10,23-24H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.907 kcal/mol

Physical Properties
Molecular Weight: 391.25 g/mol	logS: -7.08308	SlogP: 5.7558	Reactive groups: 0

Topological Properties
Globularity: 0.0335766	Sterimol/B1: 3.49005	Sterimol/B2: 3.91608	Sterimol/B3: 3.94338
Sterimol/B4: 4.69715	Sterimol/L: 20.5708

Surface and Volume Properties
Accessible surface: 618.098	Positive charged surface: 372.329	Negative charged surface: 243.348	Volume: 343.875
Hydrophobic surface: 528.634	Hydrophilic surface: 89.464

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.