MMsINC Database Search


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

MMsINC code: MMs02980432

Type: Neutral
Formula: C₁₀H₁₂ClNO₃

SMILES:

Clc1cc(cc(OC)c1OC)C(=O)NC

InChI:

InChI=1/C10H12ClNO3/c1-12-10(13)6-4-7(11)9(15-3)8(5-6)14-2/h4-5H,1-3H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0117 kcal/mol

Physical Properties
Molecular Weight: 229.663 g/mol	logS: -2.36606	SlogP: 1.7168	Reactive groups: 0

Topological Properties
Globularity: 0.0345498	Sterimol/B1: 2.45303	Sterimol/B2: 3.01435	Sterimol/B3: 5.04365
Sterimol/B4: 5.3781	Sterimol/L: 13.0775

Surface and Volume Properties
Accessible surface: 434.959	Positive charged surface: 308.575	Negative charged surface: 126.384	Volume: 205.625
Hydrophobic surface: 370.197	Hydrophilic surface: 64.762

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.