MMsINC Database Search


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

MMsINC code: MMs00664424

Type: Neutral
Formula: C₁₈H₁₈Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1cc(OC)c(NC(=O)C(C)C)cc1

InChI:

InChI=1/C18H18Cl2N2O3/c1-10(2)17(23)22-15-7-5-12(9-16(15)25-3)21-18(24)13-6-4-11(19)8-14(13)20/h4-10H,1-3H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.928 kcal/mol

Physical Properties
Molecular Weight: 381.259 g/mol	logS: -5.48682	SlogP: 4.8488	Reactive groups: 0

Topological Properties
Globularity: 0.0353449	Sterimol/B1: 2.05672	Sterimol/B2: 3.86831	Sterimol/B3: 4.66173
Sterimol/B4: 6.01894	Sterimol/L: 19.7306

Surface and Volume Properties
Accessible surface: 624.448	Positive charged surface: 346.27	Negative charged surface: 278.178	Volume: 336.875
Hydrophobic surface: 525.547	Hydrophilic surface: 98.901

Pharmacophoric Properties
Hydrogen bond donors: 2	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.