MMsINC Database Search


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MMsINC code: MMs00360977

Type: Neutral
Formula: C₂₀H₁₄O₄

SMILES:

O(C(=O)C)c1c2c3c4c(ccc3cc1)c(OC(=O)C)ccc4cc2

InChI:

InChI=1/C20H14O4/c1-11(21)23-17-9-5-13-4-8-16-18(24-12(2)22)10-6-14-3-7-15(17)19(13)20(14)16/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.403 kcal/mol

Physical Properties
Molecular Weight: 318.328 g/mol	logS: -7.17706	SlogP: 4.4346	Reactive groups: 0

Topological Properties
Globularity: 0.0384306	Sterimol/B1: 2.66094	Sterimol/B2: 3.38348	Sterimol/B3: 4.77869
Sterimol/B4: 5.68823	Sterimol/L: 16.5957

Surface and Volume Properties
Accessible surface: 538.766	Positive charged surface: 275.549	Negative charged surface: 236.436	Volume: 294.625
Hydrophobic surface: 465.625	Hydrophilic surface: 73.141

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.