MMsINC Database Search


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MMsINC code: MMs00292726

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O1CCN(CC1)C(=O)CCCN1C(=O)c2c3c(cccc3ccc2)C1=O

InChI:

InChI=1/C20H20N2O4/c23-17(21-10-12-26-13-11-21)8-3-9-22-19(24)15-6-1-4-14-5-2-7-16(18(14)15)20(22)25/h1-2,4-7H,3,8-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8283 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.25436	SlogP: 2.0748	Reactive groups: 0

Topological Properties
Globularity: 0.0551951	Sterimol/B1: 2.56061	Sterimol/B2: 3.52271	Sterimol/B3: 3.921
Sterimol/B4: 7.24462	Sterimol/L: 17.6521

Surface and Volume Properties
Accessible surface: 594.798	Positive charged surface: 397.651	Negative charged surface: 186.076	Volume: 329.75
Hydrophobic surface: 489.706	Hydrophilic surface: 105.092

Pharmacophoric Properties
Hydrogen bond donors: 0	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.