MMsINC Database Search


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MMsINC code: MMs02705841

Type: Neutral
Formula: C₁₁H₉FO₂

SMILES:

Fc1ccccc1-c1oc(cc1)CO

InChI:

InChI=1/C11H9FO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-6,13H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.7239 kcal/mol

Physical Properties
Molecular Weight: 192.189 g/mol	logS: -3.59763	SlogP: 2.8444	Reactive groups: 0

Topological Properties
Globularity: 0.0632058	Sterimol/B1: 2.56771	Sterimol/B2: 2.8295	Sterimol/B3: 3.55249
Sterimol/B4: 4.62437	Sterimol/L: 12.8613

Surface and Volume Properties
Accessible surface: 391.458	Positive charged surface: 219.921	Negative charged surface: 171.537	Volume: 178.125
Hydrophobic surface: 318.436	Hydrophilic surface: 73.022

Pharmacophoric Properties
Hydrogen bond donors: 1	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.