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MMsINC code: MMs01179114

Type: Neutral
Formula: C₂₁H₂₅NO₃

SMILES:

o1cccc1CN(C(=O)c1cc2CCOc2cc1)CC1CCCCC1

InChI:

InChI=1/C21H25NO3/c23-21(18-8-9-20-17(13-18)10-12-25-20)22(15-19-7-4-11-24-19)14-16-5-2-1-3-6-16/h4,7-9,11,13,16H,1-3,5-6,10,12,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.552 kcal/mol

Physical Properties
Molecular Weight: 339.435 g/mol	logS: -5.35311	SlogP: 4.70357	Reactive groups: 0

Topological Properties
Globularity: 0.101562	Sterimol/B1: 2.40731	Sterimol/B2: 3.27026	Sterimol/B3: 4.27121
Sterimol/B4: 10.8989	Sterimol/L: 14.5496

Surface and Volume Properties
Accessible surface: 589.387	Positive charged surface: 393.855	Negative charged surface: 195.532	Volume: 339.375
Hydrophobic surface: 541.764	Hydrophilic surface: 47.623

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.