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MMsINC code: MMs00778318

Type: Neutral
Formula: C₁₇H₁₈Cl₂O₃

SMILES:

Clc1cc(Cl)cc(C)c1OCCCOc1cc(OC)ccc1

InChI:

InChI=1/C17H18Cl2O3/c1-12-9-13(18)10-16(19)17(12)22-8-4-7-21-15-6-3-5-14(11-15)20-2/h3,5-6,9-11H,4,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2652 kcal/mol

Physical Properties
Molecular Weight: 341.234 g/mol	logS: -5.16118	SlogP: 5.15832	Reactive groups: 0

Topological Properties
Globularity: 0.0450862	Sterimol/B1: 2.23964	Sterimol/B2: 3.70065	Sterimol/B3: 3.965
Sterimol/B4: 6.97807	Sterimol/L: 20.4198

Surface and Volume Properties
Accessible surface: 601.009	Positive charged surface: 333.419	Negative charged surface: 267.589	Volume: 311.75
Hydrophobic surface: 579.637	Hydrophilic surface: 21.372

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.