MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02129457

Type: Neutral
Formula: C₂₀H₁₇FO₂

SMILES:

Fc1ccc(OCC(O)(c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C20H17FO2/c21-18-11-13-19(14-12-18)23-15-20(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.461 kcal/mol

Physical Properties
Molecular Weight: 308.352 g/mol	logS: -5.0635	SlogP: 4.4521	Reactive groups: 0

Topological Properties
Globularity: 0.176689	Sterimol/B1: 2.46628	Sterimol/B2: 3.32332	Sterimol/B3: 4.9604
Sterimol/B4: 8.40135	Sterimol/L: 14.5178

Surface and Volume Properties
Accessible surface: 556.846	Positive charged surface: 293.602	Negative charged surface: 263.244	Volume: 301.375
Hydrophobic surface: 528.783	Hydrophilic surface: 28.063

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.