MMsINC Database Search


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MMsINC code: MMs00745680

Type: Neutral
Formula: C₂₀H₂₅ClO₄

SMILES:

Clc1cc(cc(C)c1OCCOCCOc1ccc(cc1OC)C)C

InChI:

InChI=1/C20H25ClO4/c1-14-5-6-18(19(13-14)22-4)24-9-7-23-8-10-25-20-16(3)11-15(2)12-17(20)21/h5-6,11-13H,7-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.326 kcal/mol

Physical Properties
Molecular Weight: 364.869 g/mol	logS: -5.3156	SlogP: 4.74826	Reactive groups: 0

Topological Properties
Globularity: 0.0864739	Sterimol/B1: 2.86298	Sterimol/B2: 3.06737	Sterimol/B3: 6.60582
Sterimol/B4: 7.24311	Sterimol/L: 18.3289

Surface and Volume Properties
Accessible surface: 685.707	Positive charged surface: 464.653	Negative charged surface: 221.054	Volume: 361.75
Hydrophobic surface: 668.361	Hydrophilic surface: 17.346

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.