MMsINC Database Search


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

MMsINC code: MMs01310287

Type: Neutral
Formula: C₂₀H₂₃NO₄

SMILES:

O(CC)c1ccccc1NC(=O)COC(=O)C(CC)c1ccccc1

InChI:

InChI=1/C20H23NO4/c1-3-16(15-10-6-5-7-11-15)20(23)25-14-19(22)21-17-12-8-9-13-18(17)24-4-2/h5-13,16H,3-4,14H2,1-2H3,(H,21,22)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.21 kcal/mol

Physical Properties
Molecular Weight: 341.407 g/mol	logS: -4.91909	SlogP: 3.7608	Reactive groups: 0

Topological Properties
Globularity: 0.044605	Sterimol/B1: 2.52837	Sterimol/B2: 3.50422	Sterimol/B3: 5.24231
Sterimol/B4: 7.22716	Sterimol/L: 17.6566

Surface and Volume Properties
Accessible surface: 650.162	Positive charged surface: 425.75	Negative charged surface: 224.412	Volume: 342.75
Hydrophobic surface: 533.662	Hydrophilic surface: 116.5

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.