MMsINC Database Search


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MMsINC code: MMs00579415

Type: Neutral
Formula: C₁₁H₇FO₂

SMILES:

Fc1ccc(cc1)C(=O)c1occc1

InChI:

InChI=1/C11H7FO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7678 kcal/mol

Physical Properties
Molecular Weight: 190.173 g/mol	logS: -3.50424	SlogP: 2.6497	Reactive groups: 0

Topological Properties
Globularity: 0.00075916	Sterimol/B1: 2.097	Sterimol/B2: 2.23364	Sterimol/B3: 3.87157
Sterimol/B4: 4.3493	Sterimol/L: 12.4021

Surface and Volume Properties
Accessible surface: 371.196	Positive charged surface: 166.229	Negative charged surface: 204.968	Volume: 170.5
Hydrophobic surface: 333.838	Hydrophilic surface: 37.358

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.