MMsINC Database Search


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MMsINC code: MMs03196780

Type: Neutral
Formula: C₁₄H₉Cl₂NO₃

SMILES:

Clc1ccccc1C(=O)Nc1cc(ccc1Cl)C(O)=O

InChI:

InChI=1/C14H9Cl2NO3/c15-10-4-2-1-3-9(10)13(18)17-12-7-8(14(19)20)5-6-11(12)16/h1-7H,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5774 kcal/mol

Physical Properties
Molecular Weight: 310.136 g/mol	logS: -4.79285	SlogP: 3.9439	Reactive groups: 0

Topological Properties
Globularity: 0.0156142	Sterimol/B1: 2.097	Sterimol/B2: 3.39585	Sterimol/B3: 4.54161
Sterimol/B4: 5.80445	Sterimol/L: 14.9095

Surface and Volume Properties
Accessible surface: 493.652	Positive charged surface: 207.456	Negative charged surface: 286.196	Volume: 254.75
Hydrophobic surface: 373.661	Hydrophilic surface: 119.991

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03196781
PUBCHEM-ZINC05068322