MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00733751

Type: Neutral
Formula: C₁₇H₂₅NO₂

SMILES:

O(CCCC)c1ccc(cc1)C(=O)N1CCCCCC1

InChI:

InChI=1/C17H25NO2/c1-2-3-14-20-16-10-8-15(9-11-16)17(19)18-12-6-4-5-7-13-18/h8-11H,2-7,12-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4818 kcal/mol

Physical Properties
Molecular Weight: 275.392 g/mol	logS: -3.47552	SlogP: 3.8817	Reactive groups: 0

Topological Properties
Globularity: 0.0598288	Sterimol/B1: 3.49432	Sterimol/B2: 3.88454	Sterimol/B3: 4.20042
Sterimol/B4: 4.24688	Sterimol/L: 17.5839

Surface and Volume Properties
Accessible surface: 551.582	Positive charged surface: 401.427	Negative charged surface: 150.155	Volume: 291.625
Hydrophobic surface: 494.96	Hydrophilic surface: 56.622

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.