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MMsINC code: MMs02268313

Type: Neutral
Formula: C₁₇H₁₄O₄

SMILES:

O(C)c1c2c(ccc1OC)c(cc1c2cccc1)C(O)=O

InChI:

InChI=1/C17H14O4/c1-20-14-8-7-12-13(17(18)19)9-10-5-3-4-6-11(10)15(12)16(14)21-2/h3-9H,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.41 kcal/mol

Physical Properties
Molecular Weight: 282.295 g/mol	logS: -5.2108	SlogP: 3.7084	Reactive groups: 0

Topological Properties
Globularity: 0.0295718	Sterimol/B1: 2.31271	Sterimol/B2: 3.18586	Sterimol/B3: 5.35697
Sterimol/B4: 6.67415	Sterimol/L: 13.3652

Surface and Volume Properties
Accessible surface: 486.577	Positive charged surface: 312.549	Negative charged surface: 152.12	Volume: 260.125
Hydrophobic surface: 387.398	Hydrophilic surface: 99.179

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02268314
NCID-ZINC01620018