MMsINC Database Search


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

MMsINC code: MMs02850754

Type: Neutral
Formula: C₁₁H₁₅NO₂

SMILES:

O(CCCc1ccccc1)C(=O)NC

InChI:

InChI=1/C11H15NO2/c1-12-11(13)14-9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.75915 kcal/mol

Physical Properties
Molecular Weight: 193.246 g/mol	logS: -1.87107	SlogP: 1.97517	Reactive groups: 0

Topological Properties
Globularity: 0.0534498	Sterimol/B1: 2.70247	Sterimol/B2: 3.61853	Sterimol/B3: 3.62075
Sterimol/B4: 3.62096	Sterimol/L: 15.6262

Surface and Volume Properties
Accessible surface: 437.165	Positive charged surface: 313.07	Negative charged surface: 124.095	Volume: 201.875
Hydrophobic surface: 365.38	Hydrophilic surface: 71.785

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