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MMsINC code: MMs02954535

Type: Neutral
Formula: C₁₇H₁₄O₄

SMILES:

O1c2c(cc(cc2)C)C(=O)CC1c1ccccc1C(O)=O

InChI:

InChI=1/C17H14O4/c1-10-6-7-15-13(8-10)14(18)9-16(21-15)11-4-2-3-5-12(11)17(19)20/h2-8,16H,9H2,1H3,(H,19,20)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5836 kcal/mol

Physical Properties
Molecular Weight: 282.295 g/mol	logS: -3.98215	SlogP: 3.49522	Reactive groups: 0

Topological Properties
Globularity: 0.0564694	Sterimol/B1: 2.86627	Sterimol/B2: 3.60565	Sterimol/B3: 4.62014
Sterimol/B4: 4.84424	Sterimol/L: 14.9519

Surface and Volume Properties
Accessible surface: 490.319	Positive charged surface: 282.053	Negative charged surface: 208.266	Volume: 264.25
Hydrophobic surface: 374.211	Hydrophilic surface: 116.108

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02954536
PUBCHEM-ZINC02887912