MMsINC Database Search


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MMsINC code: MMs01522756

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(C)c1cc(OC)ccc1NC(=O)CCCOc1ccc(cc1)C(=O)C

InChI:

InChI=1/C20H23NO5/c1-14(22)15-6-8-16(9-7-15)26-12-4-5-20(23)21-18-11-10-17(24-2)13-19(18)25-3/h6-11,13H,4-5,12H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.923 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -3.92841	SlogP: 3.7041	Reactive groups: 0

Topological Properties
Globularity: 0.0113127	Sterimol/B1: 2.56524	Sterimol/B2: 3.32862	Sterimol/B3: 4.69834
Sterimol/B4: 5.65469	Sterimol/L: 22.2959

Surface and Volume Properties
Accessible surface: 670.144	Positive charged surface: 472.635	Negative charged surface: 197.509	Volume: 346.375
Hydrophobic surface: 566.776	Hydrophilic surface: 103.368

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.