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MMsINC code: MMs02954532

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6113 kcal/mol

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

Topological Properties
Globularity: 0.0573856	Sterimol/B1: 2.87409	Sterimol/B2: 3.61449	Sterimol/B3: 4.62022
Sterimol/B4: 4.83988	Sterimol/L: 14.8948

Surface and Volume Properties
Accessible surface: 496.214	Positive charged surface: 281.921	Negative charged surface: 214.294	Volume: 263.875
Hydrophobic surface: 378.769	Hydrophilic surface: 117.445

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

MMs02954533
PUBCHEM-ZINC02887910