MMsINC Database Search


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MMsINC code: MMs00978114

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O=C1N(Cc2c1c(ccc2)C(=O)Nc1cc(ccc1)C(=O)C)CCOC

InChI:

InChI=1/C20H20N2O4/c1-13(23)14-5-3-7-16(11-14)21-19(24)17-8-4-6-15-12-22(9-10-26-2)20(25)18(15)17/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.906 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -3.97232	SlogP: 3.0101	Reactive groups: 0

Topological Properties
Globularity: 0.0722714	Sterimol/B1: 2.54883	Sterimol/B2: 2.82248	Sterimol/B3: 4.89959
Sterimol/B4: 9.11095	Sterimol/L: 16.715

Surface and Volume Properties
Accessible surface: 619.423	Positive charged surface: 423.022	Negative charged surface: 196.401	Volume: 334.125
Hydrophobic surface: 520.162	Hydrophilic surface: 99.261

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

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Ions/Tautomers related molecules: no related molecules available.