MMsINC Database Search


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MMsINC code: MMs02252610

Type: Neutral
Formula: C₁₁H₁₅NO₂

SMILES:

O(C(=O)c1ccccc1N)C(CC)C

InChI:

InChI=1/C11H15NO2/c1-3-8(2)14-11(13)9-6-4-5-7-10(9)12/h4-8H,3,12H2,1-2H3/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.6454 kcal/mol

Physical Properties
Molecular Weight: 193.246 g/mol	logS: -2.34368	SlogP: 2.2241	Reactive groups: 0

Topological Properties
Globularity: 0.138809	Sterimol/B1: 2.19783	Sterimol/B2: 3.15585	Sterimol/B3: 5.13592
Sterimol/B4: 5.38292	Sterimol/L: 12.2878

Surface and Volume Properties
Accessible surface: 419.523	Positive charged surface: 277.88	Negative charged surface: 141.643	Volume: 199.625
Hydrophobic surface: 310.571	Hydrophilic surface: 108.952

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.