MMsINC Database Search


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MMsINC code: MMs02759232

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O(c1ccccc1C(=O)Nc1ncccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3863 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -4.1907	SlogP: 4.1262	Reactive groups: 0

Topological Properties
Globularity: 0.0414235	Sterimol/B1: 3.10033	Sterimol/B2: 3.47271	Sterimol/B3: 3.72445
Sterimol/B4: 7.83729	Sterimol/L: 16.3102

Surface and Volume Properties
Accessible surface: 540.795	Positive charged surface: 323.523	Negative charged surface: 217.272	Volume: 283.25
Hydrophobic surface: 487.068	Hydrophilic surface: 53.727

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.