MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02921535

Type: Neutral
Formula: C₁₆H₂₃Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1OCCCC(=O)NCCCCCC

InChI:

InChI=1/C16H23Cl2NO2/c1-2-3-4-5-10-19-16(20)7-6-11-21-15-9-8-13(17)12-14(15)18/h8-9,12H,2-7,10-11H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.0995 kcal/mol

Physical Properties
Molecular Weight: 332.271 g/mol	logS: -5.23474	SlogP: 4.8489	Reactive groups: 0

Topological Properties
Globularity: 0.00964578	Sterimol/B1: 2.37556	Sterimol/B2: 2.3786	Sterimol/B3: 3.47969
Sterimol/B4: 5.59883	Sterimol/L: 23.323

Surface and Volume Properties
Accessible surface: 643.905	Positive charged surface: 386.633	Negative charged surface: 257.272	Volume: 319.625
Hydrophobic surface: 569.381	Hydrophilic surface: 74.524

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.