MMsINC Database Search


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MMsINC code: MMs01340139

Type: Neutral
Formula: C₂₀H₁₄N₂O₂

SMILES:

O(c1cc(\N=C\2/c3c(NC/2=O)cccc3)ccc1)c1ccccc1

InChI:

InChI=1/C20H14N2O2/c23-20-19(17-11-4-5-12-18(17)22-20)21-14-7-6-10-16(13-14)24-15-8-2-1-3-9-15/h1-13H,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.974 kcal/mol

Physical Properties
Molecular Weight: 314.344 g/mol	logS: -5.74206	SlogP: 4.5518	Reactive groups: 0

Topological Properties
Globularity: 0.150525	Sterimol/B1: 3.41153	Sterimol/B2: 3.5744	Sterimol/B3: 4.24685
Sterimol/B4: 7.21216	Sterimol/L: 13.6357

Surface and Volume Properties
Accessible surface: 520.972	Positive charged surface: 282.405	Negative charged surface: 238.567	Volume: 297.625
Hydrophobic surface: 419.707	Hydrophilic surface: 101.265

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.