MMsINC Database Search


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MMsINC code: MMs03522175

Type: Neutral
Formula: C₂₀H₁₇FO₂

SMILES:

Fc1cc2c3c(ccc2cc1)c(c1c(C=CC(O)C1O)c3C)C

InChI:

InChI=1/C20H17FO2/c1-10-15-7-8-17(22)20(23)19(15)11(2)14-6-4-12-3-5-13(21)9-16(12)18(10)14/h3-9,17,20,22-23H,1-2H3/t17-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.766 kcal/mol

Physical Properties
Molecular Weight: 308.352 g/mol	logS: -6.58016	SlogP: 4.26554	Reactive groups: 0

Topological Properties
Globularity: 0.0440825	Sterimol/B1: 2.1832	Sterimol/B2: 3.12232	Sterimol/B3: 3.39129
Sterimol/B4: 7.6011	Sterimol/L: 15.0696

Surface and Volume Properties
Accessible surface: 505.89	Positive charged surface: 275.479	Negative charged surface: 211.6	Volume: 290.375
Hydrophobic surface: 408.752	Hydrophilic surface: 97.138

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.