MMsINC Database Search


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MMsINC code: MMs00294732

Type: Neutral
Formula: C₁₉H₁₃NO₂

SMILES:

O=C1N(Cc2ccccc2)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C19H13NO2/c21-18-15-10-4-8-14-9-5-11-16(17(14)15)19(22)20(18)12-13-6-2-1-3-7-13/h1-11H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5447 kcal/mol

Physical Properties
Molecular Weight: 287.318 g/mol	logS: -5.58051	SlogP: 3.9024	Reactive groups: 0

Topological Properties
Globularity: 0.106301	Sterimol/B1: 2.29979	Sterimol/B2: 4.83954	Sterimol/B3: 4.84003
Sterimol/B4: 5.30996	Sterimol/L: 13.4292

Surface and Volume Properties
Accessible surface: 495.419	Positive charged surface: 261.259	Negative charged surface: 223.088	Volume: 272.125
Hydrophobic surface: 437.054	Hydrophilic surface: 58.365

Pharmacophoric Properties
Hydrogen bond donors: 0	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.