MMsINC Database Search


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MMsINC code: MMs00139294

Type: Neutral
Formula: C₁₉H₁₄N₂O₂

SMILES:

O=C1N(c2c3c1cccc3ccc2)CC(=O)Nc1ccccc1

InChI:

InChI=1/C19H14N2O2/c22-17(20-14-8-2-1-3-9-14)12-21-16-11-5-7-13-6-4-10-15(18(13)16)19(21)23/h1-11H,12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.193 kcal/mol

Physical Properties
Molecular Weight: 302.333 g/mol	logS: -5.47769	SlogP: 3.4387	Reactive groups: 0

Topological Properties
Globularity: 0.0974264	Sterimol/B1: 2.15687	Sterimol/B2: 4.08074	Sterimol/B3: 5.60304
Sterimol/B4: 5.7108	Sterimol/L: 15.5881

Surface and Volume Properties
Accessible surface: 536.804	Positive charged surface: 294.063	Negative charged surface: 231.7	Volume: 289.375
Hydrophobic surface: 453.653	Hydrophilic surface: 83.151

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.