MMsINC Database Search


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MMsINC code: MMs03824971

Type: Neutral
Formula: C₂₀H₂₀N₂O₅

SMILES:

O(C(=O)c1ccc(cc1NC(=O)CN1CCc2c1cccc2)C(OC)=O)C

InChI:

InChI=1/C20H20N2O5/c1-26-19(24)14-7-8-15(20(25)27-2)16(11-14)21-18(23)12-22-10-9-13-5-3-4-6-17(13)22/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=170.697 kcal/mol

Physical Properties
Molecular Weight: 368.389 g/mol	logS: -4.25605	SlogP: 2.26097	Reactive groups: 0

Topological Properties
Globularity: 0.0681968	Sterimol/B1: 2.05804	Sterimol/B2: 4.07156	Sterimol/B3: 4.16801
Sterimol/B4: 11.394	Sterimol/L: 17.9962

Surface and Volume Properties
Accessible surface: 653.501	Positive charged surface: 465.569	Negative charged surface: 187.933	Volume: 344.5
Hydrophobic surface: 538.925	Hydrophilic surface: 114.576

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.