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MMsINC code: MMs01222706

Type: Neutral
Formula: C₁₅H₁₈N₂O₅

SMILES:

O(C(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)NC1CCCCC1)C

InChI:

InChI=1/C15H18N2O5/c1-22-15(19)11-7-10(8-13(9-11)17(20)21)14(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5093 kcal/mol

Physical Properties
Molecular Weight: 306.318 g/mol	logS: -4.17411	SlogP: 2.4439	Reactive groups: 0

Topological Properties
Globularity: 0.0357542	Sterimol/B1: 2.56091	Sterimol/B2: 3.22892	Sterimol/B3: 3.40158
Sterimol/B4: 7.4255	Sterimol/L: 17.4626

Surface and Volume Properties
Accessible surface: 553.546	Positive charged surface: 348.51	Negative charged surface: 205.036	Volume: 279.25
Hydrophobic surface: 394.445	Hydrophilic surface: 159.101

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.