MMsINC Database Search


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MMsINC code: MMs01233657

Type: Neutral
Formula: C₁₈H₁₂Cl₂O₃

SMILES:

Clc1cc(ccc1Cl)COC(=O)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C18H12Cl2O3/c19-15-6-5-11(7-16(15)20)10-23-18(22)14-8-12-3-1-2-4-13(12)9-17(14)21/h1-9,21H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6029 kcal/mol

Physical Properties
Molecular Weight: 347.197 g/mol	logS: -6.51902	SlogP: 5.4756	Reactive groups: 0

Topological Properties
Globularity: 0.0540848	Sterimol/B1: 2.55367	Sterimol/B2: 3.70715	Sterimol/B3: 4.68786
Sterimol/B4: 7.78379	Sterimol/L: 16.5769

Surface and Volume Properties
Accessible surface: 576.331	Positive charged surface: 251.946	Negative charged surface: 313.314	Volume: 301
Hydrophobic surface: 497.398	Hydrophilic surface: 78.933

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.