MMsINC Database Search


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MMsINC code: MMs01075156

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O(c1ccccc1C(=O)Nc1ccncc1)c1ccccc1

InChI:

InChI=1/C18H14N2O2/c21-18(20-14-10-12-19-13-11-14)16-8-4-5-9-17(16)22-15-6-2-1-3-7-15/h1-13H,(H,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.7209 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -3.87944	SlogP: 4.1262	Reactive groups: 0

Topological Properties
Globularity: 0.0558177	Sterimol/B1: 3.23941	Sterimol/B2: 3.39066	Sterimol/B3: 3.70936
Sterimol/B4: 7.69103	Sterimol/L: 16.0776

Surface and Volume Properties
Accessible surface: 534.019	Positive charged surface: 331.708	Negative charged surface: 202.312	Volume: 281.375
Hydrophobic surface: 485.425	Hydrophilic surface: 48.594

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.