MMsINC Database Search


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MMsINC code: MMs01406978

Type: Neutral
Formula: C₂₃H₁₈O₅

SMILES:

O1c2c(ccc(c2)C)C(=CC1=O)COC(=O)c1cc2c(cc1OC)cccc2

InChI:

InChI=1/C23H18O5/c1-14-7-8-18-17(12-22(24)28-21(18)9-14)13-27-23(25)19-10-15-5-3-4-6-16(15)11-20(19)26-2/h3-12H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.356 kcal/mol

Physical Properties
Molecular Weight: 374.392 g/mol	logS: -7.35884	SlogP: 4.31622	Reactive groups: 0

Topological Properties
Globularity: 0.00435441	Sterimol/B1: 2.37878	Sterimol/B2: 2.51204	Sterimol/B3: 5.82321
Sterimol/B4: 6.15356	Sterimol/L: 19.1672

Surface and Volume Properties
Accessible surface: 639.142	Positive charged surface: 370.168	Negative charged surface: 259.131	Volume: 352.625
Hydrophobic surface: 533.3	Hydrophilic surface: 105.842

Pharmacophoric Properties
Hydrogen bond donors: 0	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.