MMsINC Database Search


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MMsINC code: MMs01586319

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

Oc1cc(O)ccc1C(OCC(=O)N(Cc1ccccc1)C(C)(C)C)=O

InChI:

InChI=1/C20H23NO5/c1-20(2,3)21(12-14-7-5-4-6-8-14)18(24)13-26-19(25)16-10-9-15(22)11-17(16)23/h4-11,22-23H,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.91 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -3.85882	SlogP: 3.3483	Reactive groups: 0

Topological Properties
Globularity: 0.064301	Sterimol/B1: 3.20238	Sterimol/B2: 3.65084	Sterimol/B3: 3.72816
Sterimol/B4: 8.19345	Sterimol/L: 16.7005

Surface and Volume Properties
Accessible surface: 606.142	Positive charged surface: 364.465	Negative charged surface: 241.677	Volume: 342.125
Hydrophobic surface: 406.758	Hydrophilic surface: 199.384

Pharmacophoric Properties
Hydrogen bond donors: 2	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.