MMsINC Database Search


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MMsINC code: MMs00427893

Type: Neutral
Formula: C₁₅H₁₈Cl₂N₂O₃

SMILES:

Clc1ccc(Cl)cc1NC(=O)C1CC(=O)N(C1)C(COC)C

InChI:

InChI=1/C15H18Cl2N2O3/c1-9(8-22-2)19-7-10(5-14(19)20)15(21)18-13-6-11(16)3-4-12(13)17/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,18,21)/t9-,10+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8887 kcal/mol

Physical Properties
Molecular Weight: 345.226 g/mol	logS: -3.37922	SlogP: 2.8153	Reactive groups: 0

Topological Properties
Globularity: 0.048472	Sterimol/B1: 2.01372	Sterimol/B2: 3.32547	Sterimol/B3: 4.64031
Sterimol/B4: 6.54757	Sterimol/L: 17.0728

Surface and Volume Properties
Accessible surface: 573.609	Positive charged surface: 343.456	Negative charged surface: 230.153	Volume: 304.5
Hydrophobic surface: 504.373	Hydrophilic surface: 69.236

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.