MMsINC Database Search


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MMsINC code: MMs02255954

Type: Neutral
Formula: C₁₇H₁₁Cl₂NO₂

SMILES:

Clc1ccc(Cl)cc1NC(=O)c1cc(O)cc2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1788 kcal/mol

Physical Properties
Molecular Weight: 332.186 g/mol	logS: -6.33938	SlogP: 5.1045	Reactive groups: 0

Topological Properties
Globularity: 0.0165499	Sterimol/B1: 2.84886	Sterimol/B2: 3.04303	Sterimol/B3: 3.41345
Sterimol/B4: 7.57857	Sterimol/L: 14.8448

Surface and Volume Properties
Accessible surface: 534.359	Positive charged surface: 215.726	Negative charged surface: 307.563	Volume: 285
Hydrophobic surface: 459.318	Hydrophilic surface: 75.041

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

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Ions/Tautomers related molecules: no related molecules available.