MMsINC Database Search


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MMsINC code: MMs03217307

Type: Neutral
Formula: C₁₁H₁₂Cl₂N₂O₃

SMILES:

ClC(Cl)C(=O)NC(C(=O)c1ccc(N)cc1)CO

InChI:

InChI=1/C11H12Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8,10,16H,5,14H2,(H,15,18)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8738 kcal/mol

Physical Properties
Molecular Weight: 291.134 g/mol	logS: -2.79199	SlogP: 1.1522	Reactive groups: 0

Topological Properties
Globularity: 0.106938	Sterimol/B1: 2.49962	Sterimol/B2: 3.94901	Sterimol/B3: 4.50564
Sterimol/B4: 5.117	Sterimol/L: 15.2387

Surface and Volume Properties
Accessible surface: 488.634	Positive charged surface: 234.664	Negative charged surface: 253.97	Volume: 242.5
Hydrophobic surface: 190.645	Hydrophilic surface: 297.989

Pharmacophoric Properties
Hydrogen bond donors: 3	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

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Ions/Tautomers related molecules: no related molecules available.