MMsINC Database Search


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MMsINC code: MMs00601994

Type: Neutral
Formula: C₂₀H₁₄N₂O

SMILES:

O=C(Nc1c2ncccc2ccc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C20H14N2O/c23-20(17-11-3-7-14-6-1-2-10-16(14)17)22-18-12-4-8-15-9-5-13-21-19(15)18/h1-13H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.653 kcal/mol

Physical Properties
Molecular Weight: 298.345 g/mol	logS: -5.82129	SlogP: 4.6403	Reactive groups: 0

Topological Properties
Globularity: 0.0190907	Sterimol/B1: 2.18986	Sterimol/B2: 3.36739	Sterimol/B3: 3.69928
Sterimol/B4: 6.4517	Sterimol/L: 15.7366

Surface and Volume Properties
Accessible surface: 531.238	Positive charged surface: 293.701	Negative charged surface: 221.584	Volume: 289.625
Hydrophobic surface: 493.042	Hydrophilic surface: 38.196

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.