MMsINC Database Search


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MMsINC code: MMs03218325

Type: Neutral
Formula: C₁₉H₁₄N₂O

SMILES:

Oc1ccccc1Nc1c2c(nc3c1cccc3)cccc2

InChI:

InChI=1/C19H14N2O/c22-18-12-6-5-11-17(18)21-19-13-7-1-3-9-15(13)20-16-10-4-2-8-14(16)19/h1-12,22H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.361 kcal/mol

Physical Properties
Molecular Weight: 286.334 g/mol	logS: -5.07847	SlogP: 4.8372	Reactive groups: 0

Topological Properties
Globularity: 0.169638	Sterimol/B1: 2.48711	Sterimol/B2: 3.69625	Sterimol/B3: 4.52569
Sterimol/B4: 9.72756	Sterimol/L: 12.585

Surface and Volume Properties
Accessible surface: 510.516	Positive charged surface: 284.327	Negative charged surface: 219.664	Volume: 279.25
Hydrophobic surface: 428.72	Hydrophilic surface: 81.796

Pharmacophoric Properties
Hydrogen bond donors: 2	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.