MMsINC Database Search


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

MMsINC code: MMs00631283

Type: Neutral
Formula: C₁₈H₂₀N₂O₅

SMILES:

O(C)c1ccc(OC)cc1NC(=O)CNC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C18H20N2O5/c1-23-13-6-4-12(5-7-13)18(22)19-11-17(21)20-15-10-14(24-2)8-9-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.426 kcal/mol

Physical Properties
Molecular Weight: 344.367 g/mol	logS: -3.67858	SlogP: 2.0809	Reactive groups: 0

Topological Properties
Globularity: 0.0204009	Sterimol/B1: 2.73611	Sterimol/B2: 3.80171	Sterimol/B3: 4.16758
Sterimol/B4: 7.51601	Sterimol/L: 18.0184

Surface and Volume Properties
Accessible surface: 627.56	Positive charged surface: 456.352	Negative charged surface: 171.208	Volume: 324
Hydrophobic surface: 513.257	Hydrophilic surface: 114.303

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.