MMsINC Database Search


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MMsINC code: MMs02453245

Type: Neutral
Formula: C₁₄H₇ClO₄

SMILES:

Clc1c2c(ccc1)C(=O)c1c(C2=O)c(O)ccc1O

InChI:

InChI=1/C14H7ClO4/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,16-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3959 kcal/mol

Physical Properties
Molecular Weight: 274.659 g/mol	logS: -3.89539	SlogP: 2.5266	Reactive groups: 0

Topological Properties
Globularity: 0.0116005	Sterimol/B1: 2.097	Sterimol/B2: 2.65931	Sterimol/B3: 3.71721
Sterimol/B4: 5.87144	Sterimol/L: 12.21

Surface and Volume Properties
Accessible surface: 426.968	Positive charged surface: 214.311	Negative charged surface: 212.656	Volume: 223.125
Hydrophobic surface: 289.219	Hydrophilic surface: 137.749

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.