MMsINC Database Search


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MMsINC code: MMs00784875

Type: Neutral
Formula: C₁₇H₁₁Cl₂NO₂

SMILES:

Clc1cc(Cl)cc(\C=C\c2nc3c(cc2)cccc3O)c1O

InChI:

InChI=1/C17H11Cl2NO2/c18-12-8-11(17(22)14(19)9-12)5-7-13-6-4-10-2-1-3-15(21)16(10)20-13/h1-9,21-22H/b7-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3941 kcal/mol

Physical Properties
Molecular Weight: 332.186 g/mol	logS: -5.1183	SlogP: 5.1232	Reactive groups: 0

Topological Properties
Globularity: 0.00295802	Sterimol/B1: 2.10789	Sterimol/B2: 2.21239	Sterimol/B3: 4.26916
Sterimol/B4: 5.21515	Sterimol/L: 16.2734

Surface and Volume Properties
Accessible surface: 554.26	Positive charged surface: 233.667	Negative charged surface: 315.058	Volume: 289.625
Hydrophobic surface: 448.61	Hydrophilic surface: 105.65

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.