MMsINC Database Search


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MMsINC code: MMs00870027

Type: Neutral
Formula: C₁₄H₁₂Cl₂O₃

SMILES:

Clc1cc(OCOCOc2cc(Cl)ccc2)ccc1

InChI:

InChI=1/C14H12Cl2O3/c15-11-3-1-5-13(7-11)18-9-17-10-19-14-6-2-4-12(16)8-14/h1-8H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3047 kcal/mol

Physical Properties
Molecular Weight: 299.153 g/mol	logS: -4.3022	SlogP: 4.3828	Reactive groups: 0

Topological Properties
Globularity: 0.0481414	Sterimol/B1: 2.8848	Sterimol/B2: 3.38737	Sterimol/B3: 3.77082
Sterimol/B4: 5.51656	Sterimol/L: 15.169

Surface and Volume Properties
Accessible surface: 523.486	Positive charged surface: 240.57	Negative charged surface: 282.916	Volume: 259.25
Hydrophobic surface: 482.433	Hydrophilic surface: 41.053

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.