MMsINC Database Search


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MMsINC code: MMs02673515

Type: Neutral
Formula: C₁₀H₁₁Cl₃N₂O

SMILES:

Clc1cc(Cl)c(Cl)cc1NC(=O)NC(C)C

InChI:

InChI=1/C10H11Cl3N2O/c1-5(2)14-10(16)15-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3,(H2,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.091 kcal/mol

Physical Properties
Molecular Weight: 281.57 g/mol	logS: -4.28548	SlogP: 4.1767	Reactive groups: 0

Topological Properties
Globularity: 0.0665542	Sterimol/B1: 2.5364	Sterimol/B2: 4.44635	Sterimol/B3: 5.02287
Sterimol/B4: 5.14102	Sterimol/L: 14.517

Surface and Volume Properties
Accessible surface: 475.071	Positive charged surface: 202.774	Negative charged surface: 272.297	Volume: 233
Hydrophobic surface: 383.499	Hydrophilic surface: 91.572

Pharmacophoric Properties
Hydrogen bond donors: 2	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.