MMsINC Database Search


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MMsINC code: MMs00016362

Type: Neutral
Formula: C₁₂H₁₀N₂O₂

SMILES:

Oc1ccccc1N=Nc1ccccc1O

InChI:

InChI=1/C12H10N2O2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16/h1-8,15-16H/b14-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7499 kcal/mol

Physical Properties
Molecular Weight: 214.224 g/mol	logS: -2.55378	SlogP: 3.5132	Reactive groups: 0

Topological Properties
Globularity: 0.00383763	Sterimol/B1: 2.16248	Sterimol/B2: 2.28261	Sterimol/B3: 2.71754
Sterimol/B4: 5.74398	Sterimol/L: 14.0008

Surface and Volume Properties
Accessible surface: 433.632	Positive charged surface: 239.997	Negative charged surface: 193.635	Volume: 203.75
Hydrophobic surface: 340.636	Hydrophilic surface: 92.996

Pharmacophoric Properties
Hydrogen bond donors: 2	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.