MMsINC Database Search


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MMsINC code: MMs00633882

Type: Neutral
Formula: C₂₀H₁₆ClNO₂

SMILES:

Clc1cc(ccc1C(=O)Nc1ccc(Oc2ccccc2)cc1)C

InChI:

InChI=1/C20H16ClNO2/c1-14-7-12-18(19(21)13-14)20(23)22-15-8-10-17(11-9-15)24-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.106 kcal/mol

Physical Properties
Molecular Weight: 337.806 g/mol	logS: -6.34579	SlogP: 5.69302	Reactive groups: 0

Topological Properties
Globularity: 0.0517512	Sterimol/B1: 3.09368	Sterimol/B2: 4.16203	Sterimol/B3: 4.23846
Sterimol/B4: 4.73024	Sterimol/L: 19.3305

Surface and Volume Properties
Accessible surface: 589.348	Positive charged surface: 308.202	Negative charged surface: 281.146	Volume: 317.875
Hydrophobic surface: 561.623	Hydrophilic surface: 27.725

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.