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MMsINC code: MMs02667309

Type: Neutral
Formula: C₁₆H₁₆O₃

SMILES:

O(Cc1ccccc1)c1cc(C)c(cc1C)C(O)=O

InChI:

InChI=1/C16H16O3/c1-11-9-15(12(2)8-14(11)16(17)18)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6732 kcal/mol

Physical Properties
Molecular Weight: 256.301 g/mol	logS: -3.80695	SlogP: 3.84704	Reactive groups: 0

Topological Properties
Globularity: 0.0616741	Sterimol/B1: 2.19941	Sterimol/B2: 3.59421	Sterimol/B3: 3.64037
Sterimol/B4: 7.43361	Sterimol/L: 16.0741

Surface and Volume Properties
Accessible surface: 499.733	Positive charged surface: 303.091	Negative charged surface: 196.642	Volume: 256.75
Hydrophobic surface: 409.9	Hydrophilic surface: 89.833

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

MMs02667310
PUBCHEM-ZINC00376994