MMsINC Database Search


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MMsINC code: MMs01899315

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O(C)c1ccccc1N=Nc1cc(ccc1O)C

InChI:

InChI=1/C14H14N2O2/c1-10-7-8-13(17)12(9-10)16-15-11-5-3-4-6-14(11)18-2/h3-9,17H,1-2H3/b16-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.514 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -3.44003	SlogP: 4.12462	Reactive groups: 0

Topological Properties
Globularity: 0.00985053	Sterimol/B1: 2.43452	Sterimol/B2: 2.50475	Sterimol/B3: 2.86456
Sterimol/B4: 7.21868	Sterimol/L: 13.978

Surface and Volume Properties
Accessible surface: 489.31	Positive charged surface: 312.372	Negative charged surface: 176.938	Volume: 240.875
Hydrophobic surface: 439.487	Hydrophilic surface: 49.823

Pharmacophoric Properties
Hydrogen bond donors: 1	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.