MMsINC Database Search


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MMsINC code: MMs00142701

Type: Neutral
Formula: C₂₀H₁₁ClO₄

SMILES:

Clc1ccccc1C(Oc1cc2OC(=O)c3c(-c2cc1)cccc3)=O

InChI:

InChI=1/C20H11ClO4/c21-17-8-4-3-7-16(17)20(23)24-12-9-10-14-13-5-1-2-6-15(13)19(22)25-18(14)11-12/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.141 kcal/mol

Physical Properties
Molecular Weight: 350.757 g/mol	logS: -7.53991	SlogP: 4.7588	Reactive groups: 0

Topological Properties
Globularity: 0.0425951	Sterimol/B1: 2.91361	Sterimol/B2: 4.08342	Sterimol/B3: 4.30203
Sterimol/B4: 5.98003	Sterimol/L: 18.3864

Surface and Volume Properties
Accessible surface: 566.425	Positive charged surface: 256.815	Negative charged surface: 298.917	Volume: 305.25
Hydrophobic surface: 486.586	Hydrophilic surface: 79.839

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.