MMsINC Database Search


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MMsINC code: MMs02467741

Type: Neutral
Formula: C₁₄H₁₂N₂O₄

SMILES:

Oc1cc(ccc1O)\C=N/N=C/c1cc(O)c(O)cc1

InChI:

InChI=1/C14H12N2O4/c17-11-3-1-9(5-13(11)19)7-15-16-8-10-2-4-12(18)14(20)6-10/h1-8,17-20H/b15-7-,16-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.406 kcal/mol

Physical Properties
Molecular Weight: 272.26 g/mol	logS: -2.0451	SlogP: 1.962	Reactive groups: 0

Topological Properties
Globularity: 0.00756716	Sterimol/B1: 2.1801	Sterimol/B2: 2.58017	Sterimol/B3: 4.09652
Sterimol/B4: 5.26604	Sterimol/L: 15.1755

Surface and Volume Properties
Accessible surface: 491.185	Positive charged surface: 307.692	Negative charged surface: 183.493	Volume: 244.875
Hydrophobic surface: 236.064	Hydrophilic surface: 255.121

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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.