MMsINC Database Search


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MMsINC code: MMs01560655

Type: Neutral
Formula: C₁₉H₂₇NO₆

SMILES:

O(C)c1cc(OC)c(OC)cc1C(OCC(=O)N1CCCCC1CC)=O

InChI:

InChI=1/C19H27NO6/c1-5-13-8-6-7-9-20(13)18(21)12-26-19(22)14-10-16(24-3)17(25-4)11-15(14)23-2/h10-11,13H,5-9,12H2,1-4H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.823 kcal/mol

Physical Properties
Molecular Weight: 365.426 g/mol	logS: -3.26746	SlogP: 2.6603	Reactive groups: 0

Topological Properties
Globularity: 0.0210538	Sterimol/B1: 3.10354	Sterimol/B2: 3.11812	Sterimol/B3: 3.48081
Sterimol/B4: 8.55471	Sterimol/L: 18.0085

Surface and Volume Properties
Accessible surface: 653.814	Positive charged surface: 539.26	Negative charged surface: 114.554	Volume: 353.75
Hydrophobic surface: 557.264	Hydrophilic surface: 96.55

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.