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MMsINC code: MMs01622512

Type: Neutral
Formula: C₂₀H₂₉NO₅

SMILES:

O(CCC(OCC(=O)NC1CCCCCCC1)=O)c1ccc(OC)cc1

InChI:

InChI=1/C20H29NO5/c1-24-17-9-11-18(12-10-17)25-14-13-20(23)26-15-19(22)21-16-7-5-3-2-4-6-8-16/h9-12,16H,2-8,13-15H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.163 kcal/mol

Physical Properties
Molecular Weight: 363.454 g/mol	logS: -4.44988	SlogP: 3.2364	Reactive groups: 1

Topological Properties
Globularity: 0.023308	Sterimol/B1: 2.47131	Sterimol/B2: 3.81842	Sterimol/B3: 3.92982
Sterimol/B4: 6.03522	Sterimol/L: 22.6454

Surface and Volume Properties
Accessible surface: 681.979	Positive charged surface: 496.27	Negative charged surface: 185.709	Volume: 359.875
Hydrophobic surface: 584.428	Hydrophilic surface: 97.551

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.