MMsINC Database Search


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MMsINC code: MMs02054952

Type: Neutral
Formula: C₂₀H₂₂N₂O₅

SMILES:

O(C)c1c(cccc1OC)C(=O)NC1CC(=O)N(C1)c1cc(OC)ccc1

InChI:

InChI=1/C20H22N2O5/c1-25-15-7-4-6-14(11-15)22-12-13(10-18(22)23)21-20(24)16-8-5-9-17(26-2)19(16)27-3/h4-9,11,13H,10,12H2,1-3H3,(H,21,24)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.674 kcal/mol

Physical Properties
Molecular Weight: 370.405 g/mol	logS: -3.60335	SlogP: 2.2477	Reactive groups: 0

Topological Properties
Globularity: 0.0609169	Sterimol/B1: 2.43984	Sterimol/B2: 3.16343	Sterimol/B3: 5.71945
Sterimol/B4: 6.80954	Sterimol/L: 19.4672

Surface and Volume Properties
Accessible surface: 642.568	Positive charged surface: 467.791	Negative charged surface: 174.777	Volume: 350.625
Hydrophobic surface: 559.359	Hydrophilic surface: 83.209

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.