MMsINC Database Search


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MMsINC code: MMs00054299

Type: Neutral
Formula: C₇H₈FNO

SMILES:

Fc1ccc(N)cc1OC

InChI:

InChI=1/C7H8FNO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6948 kcal/mol

Physical Properties
Molecular Weight: 141.145 g/mol	logS: -1.45112	SlogP: 1.4165	Reactive groups: 0

Topological Properties
Globularity: 0.0205272	Sterimol/B1: 2.37409	Sterimol/B2: 2.37504	Sterimol/B3: 3.7421
Sterimol/B4: 4.89693	Sterimol/L: 9.99474

Surface and Volume Properties
Accessible surface: 316.344	Positive charged surface: 212.902	Negative charged surface: 103.442	Volume: 131.375
Hydrophobic surface: 246.765	Hydrophilic surface: 69.579

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.