MMsINC Database Search


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MMsINC code: MMs02683199

Type: Neutral
Formula: C₁₄H₁₀N₂O₃

SMILES:

o1c2c(nc1-c1ccc([N+](=O)[O-])cc1)cc(cc2)C

InChI:

InChI=1/C14H10N2O3/c1-9-2-7-13-12(8-9)15-14(19-13)10-3-5-11(6-4-10)16(17)18/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0989 kcal/mol

Physical Properties
Molecular Weight: 254.245 g/mol	logS: -5.9647	SlogP: 3.71142	Reactive groups: 0

Topological Properties
Globularity: 0.00336228	Sterimol/B1: 2.10471	Sterimol/B2: 2.51238	Sterimol/B3: 2.85433
Sterimol/B4: 5.22864	Sterimol/L: 16.2525

Surface and Volume Properties
Accessible surface: 473.858	Positive charged surface: 225.177	Negative charged surface: 248.682	Volume: 230.125
Hydrophobic surface: 351.365	Hydrophilic surface: 122.493

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.