MMsINC Database Search


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MMsINC code: MMs00647458

Type: Neutral
Formula: C₂₃H₂₀O₅

SMILES:

O1c2c(-c3c(cc(OC)cc3)C1=O)ccc(OCc1cc(OC)ccc1)c2C

InChI:

InChI=1/C23H20O5/c1-14-21(27-13-15-5-4-6-16(11-15)25-2)10-9-19-18-8-7-17(26-3)12-20(18)23(24)28-22(14)19/h4-12H,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.808 kcal/mol

Physical Properties
Molecular Weight: 376.408 g/mol	logS: -6.77107	SlogP: 5.05722	Reactive groups: 0

Topological Properties
Globularity: 0.0345187	Sterimol/B1: 2.61988	Sterimol/B2: 3.47975	Sterimol/B3: 4.69722
Sterimol/B4: 6.21937	Sterimol/L: 21.343

Surface and Volume Properties
Accessible surface: 648.042	Positive charged surface: 420.571	Negative charged surface: 217.488	Volume: 357.375
Hydrophobic surface: 570.32	Hydrophilic surface: 77.722

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.