MMsINC Database Search


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MMsINC code: MMs00745763

Type: Neutral
Formula: C₂₀H₂₃FO₄

SMILES:

Fc1ccccc1OCCOCCOc1ccc(cc1OC)CC=C

InChI:

InChI=1/C20H23FO4/c1-3-6-16-9-10-19(20(15-16)22-2)25-14-12-23-11-13-24-18-8-5-4-7-17(18)21/h3-5,7-10,15H,1,6,11-14H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.56 kcal/mol

Physical Properties
Molecular Weight: 346.398 g/mol	logS: -5.23959	SlogP: 4.03717	Reactive groups: 0

Topological Properties
Globularity: 0.108837	Sterimol/B1: 2.38238	Sterimol/B2: 2.71697	Sterimol/B3: 7.04388
Sterimol/B4: 7.51024	Sterimol/L: 19.4023

Surface and Volume Properties
Accessible surface: 680.216	Positive charged surface: 474.137	Negative charged surface: 206.079	Volume: 342.125
Hydrophobic surface: 612.363	Hydrophilic surface: 67.853

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.