MMsINC Database Search


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MMsINC code: MMs00629948

Type: Neutral
Formula: C₂₀H₁₆ClNO₂

SMILES:

Clc1ccccc1C(=O)Nc1ccc(Oc2ccc(cc2)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.376 kcal/mol

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

Topological Properties
Globularity: 0.0586424	Sterimol/B1: 2.15813	Sterimol/B2: 3.0599	Sterimol/B3: 4.95435
Sterimol/B4: 5.90454	Sterimol/L: 18.7297

Surface and Volume Properties
Accessible surface: 588.933	Positive charged surface: 306.544	Negative charged surface: 282.389	Volume: 318.375
Hydrophobic surface: 560.148	Hydrophilic surface: 28.785

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.