MMsINC Database Search


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MMsINC code: MMs01275213

Type: Neutral
Formula: C₁₆H₁₂N₂O₂

SMILES:

Oc1cc2c(cc1C(=O)Nc1ncccc1)cccc2

InChI:

InChI=1/C16H12N2O2/c19-14-10-12-6-2-1-5-11(12)9-13(14)16(20)18-15-7-3-4-8-17-15/h1-10,19H,(H,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1813 kcal/mol

Physical Properties
Molecular Weight: 264.284 g/mol	logS: -3.92392	SlogP: 3.1927	Reactive groups: 0

Topological Properties
Globularity: 0.00177164	Sterimol/B1: 2.13362	Sterimol/B2: 2.22504	Sterimol/B3: 2.43656
Sterimol/B4: 6.73718	Sterimol/L: 16.2301

Surface and Volume Properties
Accessible surface: 487.485	Positive charged surface: 282.017	Negative charged surface: 194.397	Volume: 250.125
Hydrophobic surface: 399.083	Hydrophilic surface: 88.402

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: no related molecules available.