MMsINC Database Search


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MMsINC code: MMs02614941

Type: Neutral
Formula: C₁₆H₂₄N₂O₅

SMILES:

O(C)c1cccc(OC)c1CNC(=O)CNC(OC(C)(C)C)=O

InChI:

InChI=1/C16H24N2O5/c1-16(2,3)23-15(20)18-10-14(19)17-9-11-12(21-4)7-6-8-13(11)22-5/h6-8H,9-10H2,1-5H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3421 kcal/mol

Physical Properties
Molecular Weight: 324.377 g/mol	logS: -2.86279	SlogP: 2.1111	Reactive groups: 0

Topological Properties
Globularity: 0.042878	Sterimol/B1: 2.17464	Sterimol/B2: 4.6764	Sterimol/B3: 4.69018
Sterimol/B4: 7.17425	Sterimol/L: 18.0379

Surface and Volume Properties
Accessible surface: 628.142	Positive charged surface: 475.316	Negative charged surface: 152.827	Volume: 316.5
Hydrophobic surface: 462.926	Hydrophilic surface: 165.216

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.