MMsINC Database Search


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MMsINC code: MMs00255569

Type: Neutral
Formula: C₁₄H₁₂Cl₂O₂

SMILES:

Clc1ccc(OCCOc2ccc(Cl)cc2)cc1

InChI:

InChI=1/C14H12Cl2O2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.4481 kcal/mol

Physical Properties
Molecular Weight: 283.154 g/mol	logS: -4.74856	SlogP: 4.4512	Reactive groups: 0

Topological Properties
Globularity: 0.0405128	Sterimol/B1: 2.097	Sterimol/B2: 2.47659	Sterimol/B3: 3.80066
Sterimol/B4: 4.76489	Sterimol/L: 18.3626

Surface and Volume Properties
Accessible surface: 514.603	Positive charged surface: 237.341	Negative charged surface: 277.262	Volume: 252.5
Hydrophobic surface: 504.368	Hydrophilic surface: 10.235

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.