MMsINC Database Search


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

MMsINC code: MMs00779123

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1OC(C(=O)Nc1ccc(cc1)C(=O)N)C

InChI:

InChI=1/C16H14Cl2N2O3/c1-9(23-14-7-4-11(17)8-13(14)18)16(22)20-12-5-2-10(3-6-12)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4081 kcal/mol

Physical Properties
Molecular Weight: 353.205 g/mol	logS: -5.4796	SlogP: 3.4983	Reactive groups: 0

Topological Properties
Globularity: 0.0261032	Sterimol/B1: 2.37268	Sterimol/B2: 2.52384	Sterimol/B3: 4.14772
Sterimol/B4: 6.76085	Sterimol/L: 18.9377

Surface and Volume Properties
Accessible surface: 578.589	Positive charged surface: 262.813	Negative charged surface: 315.776	Volume: 301.125
Hydrophobic surface: 415.766	Hydrophilic surface: 162.823

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.