MMsINC Database Search


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MMsINC code: MMs00292579

Type: Neutral
Formula: C₁₅H₁₀N₂O₃

SMILES:

o1c2c(nc1\C=C\c1ccccc1)cc([N+](=O)[O-])cc2

InChI:

InChI=1/C15H10N2O3/c18-17(19)12-7-8-14-13(10-12)16-15(20-14)9-6-11-4-2-1-3-5-11/h1-10H/b9-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7391 kcal/mol

Physical Properties
Molecular Weight: 266.256 g/mol	logS: -4.88422	SlogP: 3.9064	Reactive groups: 0

Topological Properties
Globularity: 9.56914e-08	Sterimol/B1: 2.097	Sterimol/B2: 2.09919	Sterimol/B3: 3.56073
Sterimol/B4: 4.45101	Sterimol/L: 17.6794

Surface and Volume Properties
Accessible surface: 495.503	Positive charged surface: 214.761	Negative charged surface: 280.742	Volume: 243.625
Hydrophobic surface: 367.2	Hydrophilic surface: 128.303

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.