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MMsINC code: MMs00001321

Type: Neutral
Formula: C₁₁H₁₅NO₂

SMILES:

OC(=O)C(N)(CC)c1ccc(cc1)C

InChI:

InChI=1/C11H15NO2/c1-3-11(12,10(13)14)9-6-4-8(2)5-7-9/h4-7H,3,12H2,1-2H3,(H,13,14)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4375 kcal/mol

Physical Properties
Molecular Weight: 193.246 g/mol	logS: -2.04854	SlogP: 1.95512	Reactive groups: 0

Topological Properties
Globularity: 0.143038	Sterimol/B1: 2.40378	Sterimol/B2: 3.00826	Sterimol/B3: 4.35133
Sterimol/B4: 4.9345	Sterimol/L: 11.8284

Surface and Volume Properties
Accessible surface: 396.687	Positive charged surface: 252.583	Negative charged surface: 144.103	Volume: 196.625
Hydrophobic surface: 263.933	Hydrophilic surface: 132.754

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00001322
ACDBLOCKS-ZINC03677056