MMsINC Database Search


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MMsINC code: MMs03172349

Type: Neutral
Formula: C₂₀H₁₆Cl₂O

SMILES:

Clc1c(C(O)(c2ccccc2)c2ccccc2)c(Cl)ccc1C

InChI:

InChI=1/C20H16Cl2O/c1-14-12-13-17(21)18(19(14)22)20(23,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,23H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=179.993 kcal/mol

Physical Properties
Molecular Weight: 343.253 g/mol	logS: -6.32075	SlogP: 5.89752	Reactive groups: 0

Topological Properties
Globularity: 0.244666	Sterimol/B1: 4.13745	Sterimol/B2: 4.16016	Sterimol/B3: 4.63299
Sterimol/B4: 7.44136	Sterimol/L: 13.0527

Surface and Volume Properties
Accessible surface: 519.64	Positive charged surface: 278.712	Negative charged surface: 240.928	Volume: 311.75
Hydrophobic surface: 495.249	Hydrophilic surface: 24.391

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.