MMsINC Database Search


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MMsINC code: MMs01793842

Type: Neutral
Formula: C₂₀H₁₄O₆

SMILES:

O1c2c(ccc(O)c2)C(C)=C(C2=CC(Oc3c2ccc(OC)c3)=O)C1=O

InChI:

InChI=1/C20H14O6/c1-10-13-5-3-11(21)7-16(13)26-20(23)19(10)15-9-18(22)25-17-8-12(24-2)4-6-14(15)17/h3-9,21H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.473 kcal/mol

Physical Properties
Molecular Weight: 350.326 g/mol	logS: -5.98947	SlogP: 3.0959	Reactive groups: 0

Topological Properties
Globularity: 0.0793905	Sterimol/B1: 2.15437	Sterimol/B2: 4.39306	Sterimol/B3: 5.08083
Sterimol/B4: 6.52612	Sterimol/L: 16.0617

Surface and Volume Properties
Accessible surface: 550.779	Positive charged surface: 320.379	Negative charged surface: 230.4	Volume: 307.75
Hydrophobic surface: 378.798	Hydrophilic surface: 171.981

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.