MMsINC Database Search


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MMsINC code: MMs03098858

Type: Neutral
Formula: C₁₀H₁₁Cl₃O₂

SMILES:

Clc1cc(Cl)cc(Cl)c1OCCCCO

InChI:

InChI=1/C10H11Cl3O2/c11-7-5-8(12)10(9(13)6-7)15-4-2-1-3-14/h5-6,14H,1-4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.6053 kcal/mol

Physical Properties
Molecular Weight: 269.555 g/mol	logS: -3.83913	SlogP: 3.7981	Reactive groups: 0

Topological Properties
Globularity: 0.0398494	Sterimol/B1: 2.7699	Sterimol/B2: 2.80675	Sterimol/B3: 3.55153
Sterimol/B4: 5.94837	Sterimol/L: 15.6987

Surface and Volume Properties
Accessible surface: 464.36	Positive charged surface: 214.21	Negative charged surface: 250.15	Volume: 223.875
Hydrophobic surface: 405.93	Hydrophilic surface: 58.43

Pharmacophoric Properties
Hydrogen bond donors: 1	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.