MMsINC Database Search


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MMsINC code: MMs02673995

Type: Neutral
Formula: C₁₁H₁₃Cl₃N₂O

SMILES:

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

InChI:

InChI=1/C11H13Cl3N2O/c1-6(2)5-15-11(17)16-10-4-8(13)7(12)3-9(10)14/h3-4,6H,5H2,1-2H3,(H2,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.623 kcal/mol

Physical Properties
Molecular Weight: 295.597 g/mol	logS: -4.36181	SlogP: 4.4243	Reactive groups: 0

Topological Properties
Globularity: 0.0287721	Sterimol/B1: 2.9039	Sterimol/B2: 2.99368	Sterimol/B3: 4.07408
Sterimol/B4: 6.00403	Sterimol/L: 15.9368

Surface and Volume Properties
Accessible surface: 503.067	Positive charged surface: 229.551	Negative charged surface: 273.517	Volume: 247
Hydrophobic surface: 409.875	Hydrophilic surface: 93.192

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.