MMsINC Database Search


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MMsINC code: MMs00592061

Type: Neutral
Formula: C₁₅H₁₀Cl₂O₃

SMILES:

Clc1cc(ccc1Cl)C(Oc1ccc(cc1)C(=O)C)=O

InChI:

InChI=1/C15H10Cl2O3/c1-9(18)10-2-5-12(6-3-10)20-15(19)11-4-7-13(16)14(17)8-11/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8002 kcal/mol

Physical Properties
Molecular Weight: 309.148 g/mol	logS: -5.27979	SlogP: 4.4152	Reactive groups: 0

Topological Properties
Globularity: 0.0467537	Sterimol/B1: 2.40337	Sterimol/B2: 3.74217	Sterimol/B3: 4.01523
Sterimol/B4: 4.08137	Sterimol/L: 17.5496

Surface and Volume Properties
Accessible surface: 516.828	Positive charged surface: 212.842	Negative charged surface: 303.987	Volume: 264
Hydrophobic surface: 446.495	Hydrophilic surface: 70.333

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.