MMsINC Database Search


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MMsINC code: MMs00617491

Type: Neutral
Formula: C₁₈H₁₆O₅

SMILES:

o1c2c(cc(O)cc2)c(C(=O)c2ccc(OC)cc2OC)c1C

InChI:

InChI=1/C18H16O5/c1-10-17(14-8-11(19)4-7-15(14)23-10)18(20)13-6-5-12(21-2)9-16(13)22-3/h4-9,19H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1597 kcal/mol

Physical Properties
Molecular Weight: 312.321 g/mol	logS: -4.95522	SlogP: 3.69502	Reactive groups: 0

Topological Properties
Globularity: 0.256667	Sterimol/B1: 2.30842	Sterimol/B2: 4.16649	Sterimol/B3: 6.41393
Sterimol/B4: 8.29014	Sterimol/L: 14.0884

Surface and Volume Properties
Accessible surface: 551.792	Positive charged surface: 368.465	Negative charged surface: 179.946	Volume: 291.5
Hydrophobic surface: 451.401	Hydrophilic surface: 100.391

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.