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MMsINC code: MMs03661549

Type: Neutral
Formula: C₁₁H₁₅NO₂

SMILES:

O(Cc1ccccc1)CC(N)C(=O)C

InChI:

InChI=1/C11H15NO2/c1-9(13)11(12)8-14-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3248 kcal/mol

Physical Properties
Molecular Weight: 193.246 g/mol	logS: -1.53115	SlogP: 1.3859	Reactive groups: 0

Topological Properties
Globularity: 0.070655	Sterimol/B1: 2.59502	Sterimol/B2: 2.95621	Sterimol/B3: 3.51127
Sterimol/B4: 4.94531	Sterimol/L: 14.2707

Surface and Volume Properties
Accessible surface: 438.344	Positive charged surface: 279.366	Negative charged surface: 158.978	Volume: 201.5
Hydrophobic surface: 337.867	Hydrophilic surface: 100.477

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03661550
PUBCHEM-ZINC06293966