MMsINC Database Search


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MMsINC code: MMs02922036

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O(c1ccccc1NC(=O)c1ccncc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9274 kcal/mol

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

Topological Properties
Globularity: 0.0556667	Sterimol/B1: 3.06961	Sterimol/B2: 3.42572	Sterimol/B3: 3.53082
Sterimol/B4: 7.8902	Sterimol/L: 16.0888

Surface and Volume Properties
Accessible surface: 537.156	Positive charged surface: 329.143	Negative charged surface: 208.013	Volume: 279.875
Hydrophobic surface: 483.724	Hydrophilic surface: 53.432

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.