MMsINC Database Search


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MMsINC code: MMs02207148

Type: Neutral
Formula: C₁₉H₁₃NO₂

SMILES:

O=C1c2c(-c3c4c1cccc4c(NC(=O)C)cc3)cccc2

InChI:

InChI=1/C19H13NO2/c1-11(21)20-17-10-9-13-12-5-2-3-6-14(12)19(22)16-8-4-7-15(17)18(13)16/h2-10H,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1739 kcal/mol

Physical Properties
Molecular Weight: 287.318 g/mol	logS: -6.3259	SlogP: 4.0096	Reactive groups: 0

Topological Properties
Globularity: 0.00667765	Sterimol/B1: 2.42531	Sterimol/B2: 2.54241	Sterimol/B3: 3.59838
Sterimol/B4: 6.79053	Sterimol/L: 15.2017

Surface and Volume Properties
Accessible surface: 490.387	Positive charged surface: 250.242	Negative charged surface: 217.891	Volume: 270.625
Hydrophobic surface: 410.492	Hydrophilic surface: 79.895

Pharmacophoric Properties
Hydrogen bond donors: 1	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.