MMsINC Database Search


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

MMsINC code: MMs01255621

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(CC)c1ccc(cc1)C(=O)CN1C(=O)C(NC1=O)(C)c1ccccc1

InChI:

InChI=1/C20H20N2O4/c1-3-26-16-11-9-14(10-12-16)17(23)13-22-18(24)20(2,21-19(22)25)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,21,25)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4445 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.60644	SlogP: 3.0467	Reactive groups: 0

Topological Properties
Globularity: 0.0409915	Sterimol/B1: 3.51319	Sterimol/B2: 3.51964	Sterimol/B3: 4.34607
Sterimol/B4: 5.31987	Sterimol/L: 19.4104

Surface and Volume Properties
Accessible surface: 619.539	Positive charged surface: 362.342	Negative charged surface: 257.197	Volume: 335.5
Hydrophobic surface: 462.028	Hydrophilic surface: 157.511

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.