MMsINC Database Search


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MMsINC code: MMs03522188

Type: Neutral
Formula: C₂₀H₁₇FO₂

SMILES:

FC1=CC(O)C(O)c2c1c(c1c(ccc3c1cccc3)c2C)C

InChI:

InChI=1/C20H17FO2/c1-10-13-8-7-12-5-3-4-6-14(12)17(13)11(2)18-15(21)9-16(22)20(23)19(10)18/h3-9,16,20,22-23H,1-2H3/t16-,20+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.335 kcal/mol

Physical Properties
Molecular Weight: 308.352 g/mol	logS: -6.67442	SlogP: 4.42364	Reactive groups: 0

Topological Properties
Globularity: 0.0611276	Sterimol/B1: 2.17566	Sterimol/B2: 3.12627	Sterimol/B3: 4.03056
Sterimol/B4: 7.62313	Sterimol/L: 14.3332

Surface and Volume Properties
Accessible surface: 504.24	Positive charged surface: 282.982	Negative charged surface: 202.145	Volume: 290.875
Hydrophobic surface: 403.282	Hydrophilic surface: 100.958

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.