MMsINC Database Search


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MMsINC code: MMs01482277

Type: Neutral
Formula: C₁₈H₁₉NO₅

SMILES:

O(C)c1cc(NC(=O)COc2cc(ccc2)C(=O)C)ccc1OC

InChI:

InChI=1/C18H19NO5/c1-12(20)13-5-4-6-15(9-13)24-11-18(21)19-14-7-8-16(22-2)17(10-14)23-3/h4-10H,11H2,1-3H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.675 kcal/mol

Physical Properties
Molecular Weight: 329.352 g/mol	logS: -3.84472	SlogP: 2.9239	Reactive groups: 0

Topological Properties
Globularity: 0.0157762	Sterimol/B1: 2.55919	Sterimol/B2: 3.42824	Sterimol/B3: 3.74711
Sterimol/B4: 5.78451	Sterimol/L: 19.4755

Surface and Volume Properties
Accessible surface: 609.764	Positive charged surface: 416.519	Negative charged surface: 193.246	Volume: 312.25
Hydrophobic surface: 499.275	Hydrophilic surface: 110.489

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.