MMsINC Database Search


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MMsINC code: MMs00535016

Type: Neutral
Formula: C₁₅H₁₄N₂O₄

SMILES:

Oc1ccccc1\C=N\OCO\N=C\c1ccccc1O

InChI:

InChI=1/C15H14N2O4/c18-14-7-3-1-5-12(14)9-16-20-11-21-17-10-13-6-2-4-8-15(13)19/h1-10,18-19H,11H2/b16-9+,17-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6389 kcal/mol

Physical Properties
Molecular Weight: 286.287 g/mol	logS: -2.62814	SlogP: 2.4565	Reactive groups: 0

Topological Properties
Globularity: 0.00302845	Sterimol/B1: 2.35008	Sterimol/B2: 2.39825	Sterimol/B3: 3.34927
Sterimol/B4: 4.62942	Sterimol/L: 19.2217

Surface and Volume Properties
Accessible surface: 565.875	Positive charged surface: 355.131	Negative charged surface: 210.744	Volume: 269.625
Hydrophobic surface: 408.426	Hydrophilic surface: 157.449

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.