MMsINC Database Search


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MMsINC code: MMs02311910

Type: Neutral
Formula: C₁₆H₁₂Cl₂O₂

SMILES:

Clc1ccc(cc1)C(=O)CCC(=O)c1ccc(Cl)cc1

InChI:

InChI=1/C16H12Cl2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6952 kcal/mol

Physical Properties
Molecular Weight: 307.176 g/mol	logS: -5.02146	SlogP: 4.8392	Reactive groups: 0

Topological Properties
Globularity: 0.00564565	Sterimol/B1: 2.37431	Sterimol/B2: 2.37665	Sterimol/B3: 2.5274
Sterimol/B4: 5.24359	Sterimol/L: 19.1532

Surface and Volume Properties
Accessible surface: 531.407	Positive charged surface: 219.445	Negative charged surface: 311.962	Volume: 273.25
Hydrophobic surface: 471.037	Hydrophilic surface: 60.37

Pharmacophoric Properties
Hydrogen bond donors: 0	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.