MMsINC Database Search


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MMsINC code: MMs00139184

Type: Neutral
Formula: C₁₅H₁₆N₂O₅

SMILES:

O(C)c1cc2c(NC(=O)C(C(=O)NC3CC3)=C2O)cc1OC

InChI:

InChI=1/C15H16N2O5/c1-21-10-5-8-9(6-11(10)22-2)17-15(20)12(13(8)18)14(19)16-7-3-4-7/h5-7H,3-4H2,1-2H3,(H,16,19)(H2,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3929 kcal/mol

Physical Properties
Molecular Weight: 304.302 g/mol	logS: -2.72457	SlogP: 1.2036	Reactive groups: 0

Topological Properties
Globularity: 0.0375628	Sterimol/B1: 2.2621	Sterimol/B2: 3.47418	Sterimol/B3: 3.73263
Sterimol/B4: 8.37307	Sterimol/L: 16.4474

Surface and Volume Properties
Accessible surface: 539.897	Positive charged surface: 382.364	Negative charged surface: 157.533	Volume: 273.375
Hydrophobic surface: 342.981	Hydrophilic surface: 196.916

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.