MMsINC Database Search


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MMsINC code: MMs00735641

Type: Neutral
Formula: C₁₈H₂₀Cl₂O₂

SMILES:

Clc1cc(OCCCCCCOc2cc(Cl)ccc2)ccc1

InChI:

InChI=1/C18H20Cl2O2/c19-15-7-5-9-17(13-15)21-11-3-1-2-4-12-22-18-10-6-8-16(20)14-18/h5-10,13-14H,1-4,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.5167 kcal/mol

Physical Properties
Molecular Weight: 339.262 g/mol	logS: -5.55564	SlogP: 6.0116	Reactive groups: 0

Topological Properties
Globularity: 0.00770878	Sterimol/B1: 2.37387	Sterimol/B2: 2.37679	Sterimol/B3: 4.09712
Sterimol/B4: 6.00861	Sterimol/L: 21.1639

Surface and Volume Properties
Accessible surface: 642.112	Positive charged surface: 336.813	Negative charged surface: 305.299	Volume: 326.375
Hydrophobic surface: 628.74	Hydrophilic surface: 13.372

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.