MMsINC Database Search


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MMsINC code: MMs02670003

Type: Neutral
Formula: C₁₄H₁₁ClO₃

SMILES:

Clc1ccccc1C(Oc1ccccc1OC)=O

InChI:

InChI=1/C14H11ClO3/c1-17-12-8-4-5-9-13(12)18-14(16)10-6-2-3-7-11(10)15/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3747 kcal/mol

Physical Properties
Molecular Weight: 262.692 g/mol	logS: -4.28361	SlogP: 3.5678	Reactive groups: 0

Topological Properties
Globularity: 0.102677	Sterimol/B1: 2.38731	Sterimol/B2: 3.59605	Sterimol/B3: 5.13096
Sterimol/B4: 7.29108	Sterimol/L: 14.0966

Surface and Volume Properties
Accessible surface: 483.78	Positive charged surface: 266.878	Negative charged surface: 216.902	Volume: 237.25
Hydrophobic surface: 458.808	Hydrophilic surface: 24.972

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.