MMsINC Database Search


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MMsINC code: MMs02263670

Type: Neutral
Formula: C₁₂H₁₀O₃

SMILES:

o1cccc1Cc1ccccc1C(O)=O

InChI:

InChI=1/C12H10O3/c13-12(14)11-6-2-1-4-9(11)8-10-5-3-7-15-10/h1-7H,8H2,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4147 kcal/mol

Physical Properties
Molecular Weight: 202.209 g/mol	logS: -2.90878	SlogP: 2.56857	Reactive groups: 0

Topological Properties
Globularity: 0.161879	Sterimol/B1: 2.48937	Sterimol/B2: 2.67632	Sterimol/B3: 3.87199
Sterimol/B4: 7.18824	Sterimol/L: 11.1468

Surface and Volume Properties
Accessible surface: 395.33	Positive charged surface: 220.053	Negative charged surface: 175.277	Volume: 190.5
Hydrophobic surface: 317.757	Hydrophilic surface: 77.573

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

MMs02263671
NCID-ZINC01613562