MMsINC Database Search


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MMsINC code: MMs00017282

Type: Neutral
Formula: C₁₉H₂₇NO₇

SMILES:

O1CCOCCOCCOc2c(OCCOCC1)cc(NC(=O)C=C)cc2

InChI:

InChI=1/C19H27NO7/c1-2-19(21)20-16-3-4-17-18(15-16)27-14-12-25-10-8-23-6-5-22-7-9-24-11-13-26-17/h2-4,15H,1,5-14H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.089 kcal/mol

Physical Properties
Molecular Weight: 381.425 g/mol	logS: -2.90336	SlogP: 1.6487	Reactive groups: 0

Topological Properties
Globularity: 0.0280105	Sterimol/B1: 2.1866	Sterimol/B2: 3.90578	Sterimol/B3: 5.97793
Sterimol/B4: 6.0907	Sterimol/L: 19.346

Surface and Volume Properties
Accessible surface: 668.264	Positive charged surface: 534.811	Negative charged surface: 133.453	Volume: 365.625
Hydrophobic surface: 562.534	Hydrophilic surface: 105.73

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 7	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.