MMsINC Database Search


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MMsINC code: MMs02207562

Type: Neutral
Formula: C₁₁H₁₀N₂O₃

SMILES:

O(C(=O)\C(=N\O)\c1c2c([nH]c1)cccc2)C

InChI:

InChI=1/C11H10N2O3/c1-16-11(14)10(13-15)8-6-12-9-5-3-2-4-7(8)9/h2-6,12,15H,1H3/b13-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7774 kcal/mol

Physical Properties
Molecular Weight: 218.212 g/mol	logS: -2.20308	SlogP: 1.5192	Reactive groups: 0

Topological Properties
Globularity: 0.00596709	Sterimol/B1: 2.37403	Sterimol/B2: 2.37635	Sterimol/B3: 4.10588
Sterimol/B4: 4.9964	Sterimol/L: 13.9501

Surface and Volume Properties
Accessible surface: 422.316	Positive charged surface: 267.422	Negative charged surface: 149.199	Volume: 201
Hydrophobic surface: 276.014	Hydrophilic surface: 146.302

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.