MMsINC Database Search


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MMsINC code: MMs01693113

Type: Neutral
Formula: C₁₀H₉FO₂

SMILES:

Fc1c2c(C(=O)CCC2)c(O)cc1

InChI:

InChI=1/C10H9FO2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,13H,1-3H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.1871 kcal/mol

Physical Properties
Molecular Weight: 180.178 g/mol	logS: -1.89038	SlogP: 2.05027	Reactive groups: 0

Topological Properties
Globularity: 0.0687028	Sterimol/B1: 2.8484	Sterimol/B2: 2.95995	Sterimol/B3: 4.23975
Sterimol/B4: 4.67468	Sterimol/L: 10.0137

Surface and Volume Properties
Accessible surface: 343.155	Positive charged surface: 208.079	Negative charged surface: 135.076	Volume: 160.875
Hydrophobic surface: 265.495	Hydrophilic surface: 77.66

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

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Ions/Tautomers related molecules: no related molecules available.