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MMsINC code: MMs02904473

Type: Neutral
Formula: C₁₁H₁₅NO₂

SMILES:

O(C(=O)C(NCc1ccccc1)C)C

InChI:

InChI=1/C11H15NO2/c1-9(11(13)14-2)12-8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.0381 kcal/mol

Physical Properties
Molecular Weight: 193.246 g/mol	logS: -1.86076	SlogP: 1.6041	Reactive groups: 0

Topological Properties
Globularity: 0.0704615	Sterimol/B1: 2.13328	Sterimol/B2: 3.16952	Sterimol/B3: 3.26944
Sterimol/B4: 5.89568	Sterimol/L: 14.4278

Surface and Volume Properties
Accessible surface: 437.63	Positive charged surface: 296.187	Negative charged surface: 141.442	Volume: 202.5
Hydrophobic surface: 363.084	Hydrophilic surface: 74.546

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02904474
PUBCHEM-ZINC02583975