MMsINC Database Search


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MMsINC code: MMs02853811

Type: Neutral
Formula: C₁₂H₁₆Cl₂O₂

SMILES:

Clc1cc(Cl)c(O)c(CCCCCC)c1O

InChI:

InChI=1/C12H16Cl2O2/c1-2-3-4-5-6-8-11(15)9(13)7-10(14)12(8)16/h7,15-16H,2-6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.791 kcal/mol

Physical Properties
Molecular Weight: 263.164 g/mol	logS: -4.86613	SlogP: 4.52737	Reactive groups: 0

Topological Properties
Globularity: 0.0701497	Sterimol/B1: 2.46362	Sterimol/B2: 4.10786	Sterimol/B3: 4.64593
Sterimol/B4: 4.78898	Sterimol/L: 14.7916

Surface and Volume Properties
Accessible surface: 491.694	Positive charged surface: 269.309	Negative charged surface: 222.386	Volume: 242.5
Hydrophobic surface: 399.531	Hydrophilic surface: 92.163

Pharmacophoric Properties
Hydrogen bond donors: 2	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.