MMsINC Database Search


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MMsINC code: MMs01506699

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(C)c1cccc(OC)c1C(OC(C(=O)N(CC)c1ccccc1)C)=O

InChI:

InChI=1/C20H23NO5/c1-5-21(15-10-7-6-8-11-15)19(22)14(2)26-20(23)18-16(24-3)12-9-13-17(18)25-4/h6-14H,5H2,1-4H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.981 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -4.41223	SlogP: 3.3022	Reactive groups: 0

Topological Properties
Globularity: 0.0956492	Sterimol/B1: 2.51382	Sterimol/B2: 2.84521	Sterimol/B3: 5.6227
Sterimol/B4: 8.10106	Sterimol/L: 16.5806

Surface and Volume Properties
Accessible surface: 630.798	Positive charged surface: 422.822	Negative charged surface: 207.976	Volume: 345.625
Hydrophobic surface: 539.32	Hydrophilic surface: 91.478

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.