MMsINC Database Search


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MMsINC code: MMs00042273

Type: Neutral
Formula: C₁₄H₁₀Cl₂O₂

SMILES:

Clc1cc(C(=O)c2ccccc2Cl)c(O)cc1C

InChI:

InChI=1/C14H10Cl2O2/c1-8-6-13(17)10(7-12(8)16)14(18)9-4-2-3-5-11(9)15/h2-7,17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4499 kcal/mol

Physical Properties
Molecular Weight: 281.138 g/mol	logS: -4.72479	SlogP: 4.23842	Reactive groups: 0

Topological Properties
Globularity: 0.103586	Sterimol/B1: 3.49537	Sterimol/B2: 3.82887	Sterimol/B3: 4.75817
Sterimol/B4: 5.85506	Sterimol/L: 13.2872

Surface and Volume Properties
Accessible surface: 462.785	Positive charged surface: 199.61	Negative charged surface: 263.175	Volume: 243.875
Hydrophobic surface: 395.214	Hydrophilic surface: 67.571

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.