MMsINC Database Search


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MMsINC code: MMs01273401

Type: Neutral
Formula: C₁₆H₂₃NO₅

SMILES:

O(C)c1cc(C(OC)=O)c(NC(=O)C(CC)CC)cc1OC

InChI:

InChI=1/C16H23NO5/c1-6-10(7-2)15(18)17-12-9-14(21-4)13(20-3)8-11(12)16(19)22-5/h8-10H,6-7H2,1-5H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6943 kcal/mol

Physical Properties
Molecular Weight: 309.362 g/mol	logS: -3.5108	SlogP: 2.8651	Reactive groups: 0

Topological Properties
Globularity: 0.110541	Sterimol/B1: 2.54495	Sterimol/B2: 5.44652	Sterimol/B3: 5.82557
Sterimol/B4: 7.70541	Sterimol/L: 15.0262

Surface and Volume Properties
Accessible surface: 586.266	Positive charged surface: 471.029	Negative charged surface: 115.237	Volume: 303.125
Hydrophobic surface: 480.067	Hydrophilic surface: 106.199

Pharmacophoric Properties
Hydrogen bond donors: 1	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.