MMsINC Database Search


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MMsINC code: MMs00500438

Type: Neutral
Formula: C₁₉H₁₄N₂O

SMILES:

o1c2c(nc1-c1ccc(cc1)-c1ccccc1)cc(N)cc2

InChI:

InChI=1/C19H14N2O/c20-16-10-11-18-17(12-16)21-19(22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0753 kcal/mol

Physical Properties
Molecular Weight: 286.334 g/mol	logS: -6.84781	SlogP: 4.744	Reactive groups: 0

Topological Properties
Globularity: 1.94113e-07	Sterimol/B1: 2.09871	Sterimol/B2: 2.10099	Sterimol/B3: 3.61151
Sterimol/B4: 4.36261	Sterimol/L: 18.9037

Surface and Volume Properties
Accessible surface: 539.565	Positive charged surface: 287.571	Negative charged surface: 240.924	Volume: 282.75
Hydrophobic surface: 440.783	Hydrophilic surface: 98.782

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.