MMsINC Database Search


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MMsINC code: MMs02659764

Type: Neutral
Formula: C₁₇H₁₃NO₂

SMILES:

O(c1ccccc1)c1nc(Oc2ccccc2)ccc1

InChI:

InChI=1/C17H13NO2/c1-3-8-14(9-4-1)19-16-12-7-13-17(18-16)20-15-10-5-2-6-11-15/h1-13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0448 kcal/mol

Physical Properties
Molecular Weight: 263.296 g/mol	logS: -4.31468	SlogP: 4.6662	Reactive groups: 0

Topological Properties
Globularity: 0.179688	Sterimol/B1: 2.38811	Sterimol/B2: 2.9439	Sterimol/B3: 4.93807
Sterimol/B4: 8.80278	Sterimol/L: 12.1943

Surface and Volume Properties
Accessible surface: 494.517	Positive charged surface: 265.015	Negative charged surface: 229.503	Volume: 259.75
Hydrophobic surface: 486.931	Hydrophilic surface: 7.586

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.