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MMsINC code: MMs02374290

Type: Neutral
Formula: C₁₇H₂₃NO₃

SMILES:

OC(=O)c1ccc(cc1)CNC(=O)CCC1CCCCC1

InChI:

InChI=1/C17H23NO3/c19-16(11-8-13-4-2-1-3-5-13)18-12-14-6-9-15(10-7-14)17(20)21/h6-7,9-10,13H,1-5,8,11-12H2,(H,18,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.8049 kcal/mol

Physical Properties
Molecular Weight: 289.375 g/mol	logS: -4.69882	SlogP: 3.6279	Reactive groups: 0

Topological Properties
Globularity: 0.0424109	Sterimol/B1: 2.752	Sterimol/B2: 2.83408	Sterimol/B3: 4.42337
Sterimol/B4: 5.53578	Sterimol/L: 18.5367

Surface and Volume Properties
Accessible surface: 567.989	Positive charged surface: 395.111	Negative charged surface: 172.879	Volume: 293.875
Hydrophobic surface: 420.421	Hydrophilic surface: 147.568

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02374291
NCID-ZINC01862829