MMsINC Database Search


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MMsINC code: MMs00603644

Type: Neutral
Formula: C₉H₉Cl₂NO

SMILES:

ClC(Cl)C(=O)NCc1ccccc1

InChI:

InChI=1/C9H9Cl2NO/c10-8(11)9(13)12-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.3665 kcal/mol

Physical Properties
Molecular Weight: 218.083 g/mol	logS: -2.9423	SlogP: 2.7928	Reactive groups: 0

Topological Properties
Globularity: 0.111054	Sterimol/B1: 3.22182	Sterimol/B2: 3.583	Sterimol/B3: 3.77811
Sterimol/B4: 3.83734	Sterimol/L: 13.4389

Surface and Volume Properties
Accessible surface: 414.88	Positive charged surface: 172.154	Negative charged surface: 242.726	Volume: 189.625
Hydrophobic surface: 237.263	Hydrophilic surface: 177.617

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