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MMsINC code: MMs03104879

Type: Neutral
Formula: C₁₈H₂₄N₂O₅

SMILES:

O(C)c1cc2C=C(CN(C(=O)CC)CCCO)C(=O)Nc2cc1OC

InChI:

InChI=1/C18H24N2O5/c1-4-17(22)20(6-5-7-21)11-13-8-12-9-15(24-2)16(25-3)10-14(12)19-18(13)23/h8-10,21H,4-7,11H2,1-3H3,(H,19,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2056 kcal/mol

Physical Properties
Molecular Weight: 348.399 g/mol	logS: -2.60048	SlogP: 1.6603	Reactive groups: 0

Topological Properties
Globularity: 0.105596	Sterimol/B1: 2.40676	Sterimol/B2: 2.81923	Sterimol/B3: 4.93986
Sterimol/B4: 9.71901	Sterimol/L: 14.0888

Surface and Volume Properties
Accessible surface: 606.649	Positive charged surface: 470.982	Negative charged surface: 135.668	Volume: 332.875
Hydrophobic surface: 431.901	Hydrophilic surface: 174.748

Pharmacophoric Properties
Hydrogen bond donors: 2	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.