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MMsINC code: MMs00695378

Type: Neutral
Formula: C₂₀H₂₅NO₃

SMILES:

O(CCCC)c1ccc(NC(=O)CCCOc2ccccc2)cc1

InChI:

InChI=1/C20H25NO3/c1-2-3-15-23-19-13-11-17(12-14-19)21-20(22)10-7-16-24-18-8-5-4-6-9-18/h4-6,8-9,11-14H,2-3,7,10,15-16H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7952 kcal/mol

Physical Properties
Molecular Weight: 327.424 g/mol	logS: -4.60996	SlogP: 4.6632	Reactive groups: 0

Topological Properties
Globularity: 0.00972888	Sterimol/B1: 2.6435	Sterimol/B2: 3.32104	Sterimol/B3: 3.63225
Sterimol/B4: 4.35005	Sterimol/L: 24.6113

Surface and Volume Properties
Accessible surface: 674.054	Positive charged surface: 456.036	Negative charged surface: 218.018	Volume: 339.25
Hydrophobic surface: 595.647	Hydrophilic surface: 78.407

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.