MMsINC Database Search


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MMsINC code: MMs00732255

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O=C1Nc2c(N(C1)C(=O)c1ccccc1C)cccc2

InChI:

InChI=1/C16H14N2O2/c1-11-6-2-3-7-12(11)16(20)18-10-15(19)17-13-8-4-5-9-14(13)18/h2-9H,10H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.452 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -4.07373	SlogP: 2.59392	Reactive groups: 0

Topological Properties
Globularity: 0.130424	Sterimol/B1: 2.24132	Sterimol/B2: 2.45386	Sterimol/B3: 4.79399
Sterimol/B4: 6.96712	Sterimol/L: 14.1547

Surface and Volume Properties
Accessible surface: 471.004	Positive charged surface: 266.174	Negative charged surface: 204.83	Volume: 253.75
Hydrophobic surface: 377.758	Hydrophilic surface: 93.246

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.