MMsINC Database Search


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MMsINC code: MMs03013993

Type: Neutral
Formula: C₁₆H₁₂N₂O₂

SMILES:

O1c2c(OC1)cc1nc(cc(c1c2)C)-c1cccnc1

InChI:

InChI=1/C16H12N2O2/c1-10-5-13(11-3-2-4-17-8-11)18-14-7-16-15(6-12(10)14)19-9-20-16/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0331 kcal/mol

Physical Properties
Molecular Weight: 264.284 g/mol	logS: -3.53948	SlogP: 3.33392	Reactive groups: 0

Topological Properties
Globularity: 0.00915887	Sterimol/B1: 2.11414	Sterimol/B2: 2.27372	Sterimol/B3: 2.74328
Sterimol/B4: 7.4775	Sterimol/L: 15.7173

Surface and Volume Properties
Accessible surface: 471.717	Positive charged surface: 306.401	Negative charged surface: 154.414	Volume: 245.625
Hydrophobic surface: 381.442	Hydrophilic surface: 90.275

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.