MMsINC Database Search


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

MMsINC code: MMs01767416

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(C)c1cc(ccc1)C(=O)N(CC1=Cc2c(NC1=O)cc(OC)cc2)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1689 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.16002	SlogP: 2.8115	Reactive groups: 0

Topological Properties
Globularity: 0.0630727	Sterimol/B1: 2.60233	Sterimol/B2: 2.95156	Sterimol/B3: 4.4395
Sterimol/B4: 8.45493	Sterimol/L: 17.6185

Surface and Volume Properties
Accessible surface: 597.773	Positive charged surface: 426.671	Negative charged surface: 171.102	Volume: 335.375
Hydrophobic surface: 489.305	Hydrophilic surface: 108.468

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.