MMsINC Database Search


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MMsINC code: MMs02504183

Type: Neutral
Formula: C₁₉H₁₄N₂O₂

SMILES:

o1c2nc3c(cccc3)c(Nc3cc(ccc3)C(=O)C)c2cc1

InChI:

InChI=1/C19H14N2O2/c1-12(22)13-5-4-6-14(11-13)20-18-15-7-2-3-8-17(15)21-19-16(18)9-10-23-19/h2-11H,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2652 kcal/mol

Physical Properties
Molecular Weight: 302.333 g/mol	logS: -6.11584	SlogP: 4.9272	Reactive groups: 0

Topological Properties
Globularity: 0.098987	Sterimol/B1: 3.80657	Sterimol/B2: 4.16644	Sterimol/B3: 5.01677
Sterimol/B4: 6.9082	Sterimol/L: 15.0672

Surface and Volume Properties
Accessible surface: 529.219	Positive charged surface: 282.343	Negative charged surface: 241.679	Volume: 289.875
Hydrophobic surface: 420.024	Hydrophilic surface: 109.195

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.