MMsINC Database Search


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MMsINC code: MMs03309014

Type: Neutral
Formula: C₁₀H₁₀Cl₃NO

SMILES:

Clc1cc(ccc1Cl)C(=O)NCCCCl

InChI:

InChI=1/C10H10Cl3NO/c11-4-1-5-14-10(15)7-2-3-8(12)9(13)6-7/h2-3,6H,1,4-5H2,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.6904 kcal/mol

Physical Properties
Molecular Weight: 266.555 g/mol	logS: -3.96664	SlogP: 3.3521	Reactive groups: 1

Topological Properties
Globularity: 0.0171251	Sterimol/B1: 2.37388	Sterimol/B2: 2.37691	Sterimol/B3: 2.56116
Sterimol/B4: 6.49031	Sterimol/L: 15.6794

Surface and Volume Properties
Accessible surface: 459.223	Positive charged surface: 186.338	Negative charged surface: 272.885	Volume: 222.125
Hydrophobic surface: 345.9	Hydrophilic surface: 113.323

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.