MMsINC Database Search


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MMsINC code: MMs00633886

Type: Neutral
Formula: C₁₅H₁₁NO₄

SMILES:

O1C(=Nc2c(cc(O)cc2)C1=O)c1cc(OC)ccc1

InChI:

InChI=1/C15H11NO4/c1-19-11-4-2-3-9(7-11)14-16-13-6-5-10(17)8-12(13)15(18)20-14/h2-8,17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1285 kcal/mol

Physical Properties
Molecular Weight: 269.256 g/mol	logS: -4.20359	SlogP: 2.6495	Reactive groups: 0

Topological Properties
Globularity: 0.0072896	Sterimol/B1: 2.29309	Sterimol/B2: 2.66824	Sterimol/B3: 3.74911
Sterimol/B4: 5.34459	Sterimol/L: 16.2209

Surface and Volume Properties
Accessible surface: 490.761	Positive charged surface: 300.43	Negative charged surface: 190.331	Volume: 243.25
Hydrophobic surface: 359.336	Hydrophilic surface: 131.425

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.