MMsINC Database Search


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MMsINC code: MMs02451444

Type: Neutral
Formula: C₁₉H₁₄N₂O₂

SMILES:

O=C1N(Cc2ccccc2)C(=O)c2c3c1cc(N)cc3ccc2

InChI:

InChI=1/C19H14N2O2/c20-14-9-13-7-4-8-15-17(13)16(10-14)19(23)21(18(15)22)11-12-5-2-1-3-6-12/h1-10H,11,20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7588 kcal/mol

Physical Properties
Molecular Weight: 302.333 g/mol	logS: -5.30139	SlogP: 3.4846	Reactive groups: 0

Topological Properties
Globularity: 0.0975749	Sterimol/B1: 2.30913	Sterimol/B2: 4.57175	Sterimol/B3: 5.38732
Sterimol/B4: 5.97912	Sterimol/L: 13.4993

Surface and Volume Properties
Accessible surface: 514.671	Positive charged surface: 290.883	Negative charged surface: 212.717	Volume: 286
Hydrophobic surface: 395.253	Hydrophilic surface: 119.418

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.