MMsINC Database Search


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MMsINC code: MMs00746338

Type: Neutral
Formula: C₁₉H₂₃ClO₄

SMILES:

Clc1ccc(cc1OCCOCCOc1ccc(cc1OC)C)C

InChI:

InChI=1/C19H23ClO4/c1-14-4-6-16(20)18(12-14)24-11-9-22-8-10-23-17-7-5-15(2)13-19(17)21-3/h4-7,12-13H,8-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.381 kcal/mol

Physical Properties
Molecular Weight: 350.842 g/mol	logS: -5.15513	SlogP: 4.43984	Reactive groups: 0

Topological Properties
Globularity: 0.121897	Sterimol/B1: 3.51535	Sterimol/B2: 3.57165	Sterimol/B3: 6.04712
Sterimol/B4: 6.55247	Sterimol/L: 17.7414

Surface and Volume Properties
Accessible surface: 673.421	Positive charged surface: 452.465	Negative charged surface: 220.956	Volume: 342.875
Hydrophobic surface: 656.97	Hydrophilic surface: 16.451

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.