MMsINC Database Search


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MMsINC code: MMs00832352

Type: Neutral
Formula: C₂₀H₁₆O₄

SMILES:

O1c2c(cc3c(occ3C)c2C)C(=CC1=O)c1ccc(OC)cc1

InChI:

InChI=1/C20H16O4/c1-11-10-23-19-12(2)20-17(8-15(11)19)16(9-18(21)24-20)13-4-6-14(22-3)7-5-13/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1329 kcal/mol

Physical Properties
Molecular Weight: 320.344 g/mol	logS: -6.36514	SlogP: 4.22623	Reactive groups: 0

Topological Properties
Globularity: 0.059498	Sterimol/B1: 2.3271	Sterimol/B2: 3.36915	Sterimol/B3: 3.58541
Sterimol/B4: 10.3761	Sterimol/L: 15.2776

Surface and Volume Properties
Accessible surface: 561.588	Positive charged surface: 340.897	Negative charged surface: 214.886	Volume: 305.5
Hydrophobic surface: 483.908	Hydrophilic surface: 77.68

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.