MMsINC Database Search


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

MMsINC code: MMs01892563

Type: Neutral
Formula: C₂₄H₁₇FO₃

SMILES:

Fc1cc(C(=O)\C=C\c2oc3c(c2)cccc3)c(OCc2ccccc2)cc1

InChI:

InChI=1/C24H17FO3/c25-19-10-13-24(27-16-17-6-2-1-3-7-17)21(15-19)22(26)12-11-20-14-18-8-4-5-9-23(18)28-20/h1-15H,16H2/b12-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.8584 kcal/mol

Physical Properties
Molecular Weight: 372.395 g/mol	logS: -7.67502	SlogP: 6.3134	Reactive groups: 1

Topological Properties
Globularity: 0.0241548	Sterimol/B1: 2.47666	Sterimol/B2: 3.61706	Sterimol/B3: 3.61984
Sterimol/B4: 10.021	Sterimol/L: 18.4968

Surface and Volume Properties
Accessible surface: 667.566	Positive charged surface: 343.711	Negative charged surface: 317.596	Volume: 356.625
Hydrophobic surface: 629.492	Hydrophilic surface: 38.074

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.