MMsINC Database Search


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MMsINC code: MMs00871283

Type: Neutral
Formula: C₁₁H₁₄ClNO₂

SMILES:

Clc1ccccc1C(=O)NCCCOC

InChI:

InChI=1/C11H14ClNO2/c1-15-8-4-7-13-11(14)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.7734 kcal/mol

Physical Properties
Molecular Weight: 227.691 g/mol	logS: -2.60971	SlogP: 2.1063	Reactive groups: 0

Topological Properties
Globularity: 0.0144209	Sterimol/B1: 2.3753	Sterimol/B2: 2.37744	Sterimol/B3: 3.76591
Sterimol/B4: 5.31832	Sterimol/L: 15.7313

Surface and Volume Properties
Accessible surface: 460.147	Positive charged surface: 300.624	Negative charged surface: 159.523	Volume: 216.5
Hydrophobic surface: 416.931	Hydrophilic surface: 43.216

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

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Ions/Tautomers related molecules: no related molecules available.