MMsINC Database Search


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MMsINC code: MMs02893615

Type: Neutral
Formula: C₁₆H₉Cl₂NO₂

SMILES:

Clc1cc(ccc1)-c1nc2c(cccc2Cl)c(c1)C(O)=O

InChI:

InChI=1/C16H9Cl2NO2/c17-10-4-1-3-9(7-10)14-8-12(16(20)21)11-5-2-6-13(18)15(11)19-14/h1-8H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3279 kcal/mol

Physical Properties
Molecular Weight: 318.159 g/mol	logS: -5.80658	SlogP: 4.9068	Reactive groups: 0

Topological Properties
Globularity: 0.000105919	Sterimol/B1: 2.10154	Sterimol/B2: 2.11183	Sterimol/B3: 4.29506
Sterimol/B4: 7.55338	Sterimol/L: 14.2068

Surface and Volume Properties
Accessible surface: 504.981	Positive charged surface: 193.078	Negative charged surface: 300.832	Volume: 270.25
Hydrophobic surface: 396.977	Hydrophilic surface: 108.004

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02893616
PUBCHEM-ZINC02526020