MMsINC Database Search


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

MMsINC code: MMs00350847

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(CC1=Cc2c(NC1=O)cccc2)C

InChI:

InChI=1/C20H20N2O4/c1-22(20(24)14-8-9-17(25-2)18(11-14)26-3)12-15-10-13-6-4-5-7-16(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)=104.126 kcal/mol

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

Topological Properties
Globularity: 0.0758886	Sterimol/B1: 2.40814	Sterimol/B2: 3.70315	Sterimol/B3: 4.17613
Sterimol/B4: 8.65725	Sterimol/L: 17.4721

Surface and Volume Properties
Accessible surface: 595.007	Positive charged surface: 426.665	Negative charged surface: 168.342	Volume: 333
Hydrophobic surface: 491.019	Hydrophilic surface: 103.988

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.