MMsINC Database Search


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MMsINC code: MMs03246944

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₃

SMILES:

Clc1cc(Cl)c(OCCOC)cc1NC(=O)c1ccccc1

InChI:

InChI=1/C16H15Cl2NO3/c1-21-7-8-22-15-10-14(12(17)9-13(15)18)19-16(20)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.4645 kcal/mol

Physical Properties
Molecular Weight: 340.206 g/mol	logS: -5.01647	SlogP: 4.2709	Reactive groups: 0

Topological Properties
Globularity: 0.0283935	Sterimol/B1: 2.34117	Sterimol/B2: 3.03084	Sterimol/B3: 3.5025
Sterimol/B4: 7.94536	Sterimol/L: 16.7688

Surface and Volume Properties
Accessible surface: 585.99	Positive charged surface: 323.566	Negative charged surface: 262.424	Volume: 299
Hydrophobic surface: 546.721	Hydrophilic surface: 39.269

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

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Ions/Tautomers related molecules: no related molecules available.