MMsINC Database Search


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MMsINC code: MMs01245337

Type: Neutral
Formula: C₂₃H₁₆Cl₂O₃

SMILES:

Clc1cccc(Cl)c1COc1ccc2c(OC(=O)C=C2c2ccccc2)c1C

InChI:

InChI=1/C23H16Cl2O3/c1-14-21(27-13-18-19(24)8-5-9-20(18)25)11-10-16-17(12-22(26)28-23(14)16)15-6-3-2-4-7-15/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.174 kcal/mol

Physical Properties
Molecular Weight: 411.284 g/mol	logS: -7.99582	SlogP: 6.31521	Reactive groups: 0

Topological Properties
Globularity: 0.0638758	Sterimol/B1: 3.13847	Sterimol/B2: 4.52651	Sterimol/B3: 4.95813
Sterimol/B4: 7.85639	Sterimol/L: 17.6203

Surface and Volume Properties
Accessible surface: 653.955	Positive charged surface: 301.159	Negative charged surface: 352.796	Volume: 366.25
Hydrophobic surface: 589.846	Hydrophilic surface: 64.109

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.