MMsINC Database Search


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MMsINC code: MMs02662592

Type: Neutral
Formula: C₂₀H₁₇ClO₂

SMILES:

Clc1ccccc1COc1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C20H17ClO2/c21-20-9-5-4-8-17(20)15-23-19-12-10-18(11-13-19)22-14-16-6-2-1-3-7-16/h1-13H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0458 kcal/mol

Physical Properties
Molecular Weight: 324.807 g/mol	logS: -5.75573	SlogP: 6.0308	Reactive groups: 0

Topological Properties
Globularity: 0.0259535	Sterimol/B1: 3.61718	Sterimol/B2: 3.61796	Sterimol/B3: 4.38678
Sterimol/B4: 5.03374	Sterimol/L: 20.3668

Surface and Volume Properties
Accessible surface: 606.061	Positive charged surface: 306.545	Negative charged surface: 299.517	Volume: 316
Hydrophobic surface: 592.205	Hydrophilic surface: 13.856

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.