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MMsINC code: MMs00842058

Type: Neutral
Formula: C₁₅H₁₄O₄

SMILES:

o1c(ccc1COc1ccccc1\C=C\C)C(O)=O

InChI:

InChI=1/C15H14O4/c1-2-5-11-6-3-4-7-13(11)18-10-12-8-9-14(19-12)15(16)17/h2-9H,10H2,1H3,(H,16,17)/b5-2+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0007 kcal/mol

Physical Properties
Molecular Weight: 258.273 g/mol	logS: -4.19069	SlogP: 3.8563	Reactive groups: 0

Topological Properties
Globularity: 0.0804184	Sterimol/B1: 2.00892	Sterimol/B2: 3.87372	Sterimol/B3: 4.07451
Sterimol/B4: 9.04807	Sterimol/L: 14.3801

Surface and Volume Properties
Accessible surface: 522.245	Positive charged surface: 292.834	Negative charged surface: 229.411	Volume: 249.625
Hydrophobic surface: 385.778	Hydrophilic surface: 136.467

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs00842059
CHEMDIV-ZINC00216948