MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01463120

Type: Neutral
Formula: C₁₈H₁₉NO₅

SMILES:

O(C)c1cc(OC)ccc1NC(=O)COC(=O)c1ccccc1C

InChI:

InChI=1/C18H19NO5/c1-12-6-4-5-7-14(12)18(21)24-11-17(20)19-15-9-8-13(22-2)10-16(15)23-3/h4-10H,11H2,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.359 kcal/mol

Physical Properties
Molecular Weight: 329.352 g/mol	logS: -4.33772	SlogP: 2.80772	Reactive groups: 0

Topological Properties
Globularity: 0.0144435	Sterimol/B1: 2.19282	Sterimol/B2: 3.55241	Sterimol/B3: 4.02542
Sterimol/B4: 6.59652	Sterimol/L: 18.1193

Surface and Volume Properties
Accessible surface: 600.095	Positive charged surface: 421.57	Negative charged surface: 178.525	Volume: 311.375
Hydrophobic surface: 516.569	Hydrophilic surface: 83.526

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.