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MMsINC code: MMs00044541

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(Cc1ccccc1)c1ccccc1CC(O)=O

InChI:

InChI=1/C15H14O3/c16-15(17)10-13-8-4-5-9-14(13)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.305 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.23403	SlogP: 3.15907	Reactive groups: 0

Topological Properties
Globularity: 0.11074	Sterimol/B1: 3.48413	Sterimol/B2: 3.72936	Sterimol/B3: 4.98255
Sterimol/B4: 5.41757	Sterimol/L: 13.9079

Surface and Volume Properties
Accessible surface: 484.175	Positive charged surface: 279.972	Negative charged surface: 204.203	Volume: 240
Hydrophobic surface: 390.561	Hydrophilic surface: 93.614

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

MMs00044542
APOLLO-ZINC00156109