MMsINC Database Search


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MMsINC code: MMs03541250

Type: Neutral
Formula: C₁₃H₁₁NO₃

SMILES:

Oc1ccccc1C(=O)Nc1cc(O)ccc1

InChI:

InChI=1/C13H11NO3/c15-10-5-3-4-9(8-10)14-13(17)11-6-1-2-7-12(11)16/h1-8,15-16H,(H,14,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5056 kcal/mol

Physical Properties
Molecular Weight: 229.235 g/mol	logS: -2.63097	SlogP: 2.3501	Reactive groups: 0

Topological Properties
Globularity: 0.0349314	Sterimol/B1: 2.44483	Sterimol/B2: 2.56372	Sterimol/B3: 3.43376
Sterimol/B4: 5.4881	Sterimol/L: 14.2434

Surface and Volume Properties
Accessible surface: 437.89	Positive charged surface: 252.64	Negative charged surface: 185.25	Volume: 214.875
Hydrophobic surface: 314.689	Hydrophilic surface: 123.201

Pharmacophoric Properties
Hydrogen bond donors: 3	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: no related molecules available.