MMsINC Database Search


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MMsINC code: MMs03676275

Type: Neutral
Formula: C₁₆H₂₃NO₄

SMILES:

O(C)c1c(OC)c(OC)ccc1C(=O)NC1CCCCC1

InChI:

InChI=1/C16H23NO4/c1-19-13-10-9-12(14(20-2)15(13)21-3)16(18)17-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7609 kcal/mol

Physical Properties
Molecular Weight: 293.363 g/mol	logS: -3.15329	SlogP: 2.7749	Reactive groups: 0

Topological Properties
Globularity: 0.0715059	Sterimol/B1: 1.969	Sterimol/B2: 3.45158	Sterimol/B3: 3.70664
Sterimol/B4: 8.125	Sterimol/L: 15.8303

Surface and Volume Properties
Accessible surface: 560.366	Positive charged surface: 464.978	Negative charged surface: 95.3874	Volume: 293.5
Hydrophobic surface: 520.215	Hydrophilic surface: 40.151

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.