MMsINC Database Search


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MMsINC code: MMs00602415

Type: Neutral
Formula: C₁₀H₁₀Cl₂N₂O₂

SMILES:

ClC(Cl)C(=O)Nc1cc(NC(=O)C)ccc1

InChI:

InChI=1/C10H10Cl2N2O2/c1-6(15)13-7-3-2-4-8(5-7)14-10(16)9(11)12/h2-5,9H,1H3,(H,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2144 kcal/mol

Physical Properties
Molecular Weight: 261.108 g/mol	logS: -3.20771	SlogP: 2.8071	Reactive groups: 0

Topological Properties
Globularity: 0.0235643	Sterimol/B1: 2.54419	Sterimol/B2: 2.93162	Sterimol/B3: 3.65606
Sterimol/B4: 5.6662	Sterimol/L: 15.2924

Surface and Volume Properties
Accessible surface: 455.123	Positive charged surface: 204.892	Negative charged surface: 250.231	Volume: 215.75
Hydrophobic surface: 237.099	Hydrophilic surface: 218.024

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