MMsINC Database Search


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MMsINC code: MMs01242653

Type: Neutral
Formula: C₁₇H₁₃NO₂

SMILES:

Oc1ccccc1C(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C17H13NO2/c19-16-8-4-3-7-15(16)17(20)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,19H,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.8847 kcal/mol

Physical Properties
Molecular Weight: 263.296 g/mol	logS: -4.8708	SlogP: 3.7977	Reactive groups: 0

Topological Properties
Globularity: 0.0131234	Sterimol/B1: 2.46957	Sterimol/B2: 2.83158	Sterimol/B3: 4.05425
Sterimol/B4: 4.22081	Sterimol/L: 16.388

Surface and Volume Properties
Accessible surface: 492.64	Positive charged surface: 262.894	Negative charged surface: 218.674	Volume: 256.25
Hydrophobic surface: 419.092	Hydrophilic surface: 73.548

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: no related molecules available.