MMsINC Database Search


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MMsINC code: MMs01094696

Type: Neutral
Formula: C₂₀H₁₂O₃

SMILES:

O(c1c2c(ccc1)C(=O)c1c(cccc1)C2=O)c1ccccc1

InChI:

InChI=1/C20H12O3/c21-19-14-9-4-5-10-15(14)20(22)18-16(19)11-6-12-17(18)23-13-7-2-1-3-8-13/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5209 kcal/mol

Physical Properties
Molecular Weight: 300.313 g/mol	logS: -5.66771	SlogP: 4.2543	Reactive groups: 0

Topological Properties
Globularity: 0.115158	Sterimol/B1: 3.05488	Sterimol/B2: 3.51028	Sterimol/B3: 4.7816
Sterimol/B4: 7.93036	Sterimol/L: 13.1868

Surface and Volume Properties
Accessible surface: 512.59	Positive charged surface: 267.941	Negative charged surface: 244.65	Volume: 284
Hydrophobic surface: 457.676	Hydrophilic surface: 54.914

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.