MMsINC Database Search


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MMsINC code: MMs02486133

Type: Neutral
Formula: C₂₀H₁₄O₃

SMILES:

OC1(c2c(cccc2)C(=O)c2c1cccc2)c1ccc(O)cc1

InChI:

InChI=1/C20H14O3/c21-14-11-9-13(10-12-14)20(23)17-7-3-1-5-15(17)19(22)16-6-2-4-8-18(16)20/h1-12,21,23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.706 kcal/mol

Physical Properties
Molecular Weight: 302.329 g/mol	logS: -4.75706	SlogP: 3.5323	Reactive groups: 0

Topological Properties
Globularity: 0.290223	Sterimol/B1: 2.39414	Sterimol/B2: 3.9032	Sterimol/B3: 4.12364
Sterimol/B4: 9.63374	Sterimol/L: 11.6731

Surface and Volume Properties
Accessible surface: 502.398	Positive charged surface: 260.312	Negative charged surface: 242.086	Volume: 286.25
Hydrophobic surface: 392.667	Hydrophilic surface: 109.731

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.