MMsINC Database Search


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MMsINC code: MMs02143656

Type: Neutral
Formula: C₁₂H₁₀FNO

SMILES:

Fc1cc2c3c(COC3)c(nc2cc1)C

InChI:

InChI=1/C12H10FNO/c1-7-10-5-15-6-11(10)9-4-8(13)2-3-12(9)14-7/h2-4H,5-6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.657 kcal/mol

Physical Properties
Molecular Weight: 203.216 g/mol	logS: -2.82039	SlogP: 3.24532	Reactive groups: 0

Topological Properties
Globularity: 0.031363	Sterimol/B1: 2.21637	Sterimol/B2: 2.42576	Sterimol/B3: 2.51213
Sterimol/B4: 6.53701	Sterimol/L: 10.838

Surface and Volume Properties
Accessible surface: 383.875	Positive charged surface: 230.136	Negative charged surface: 148.147	Volume: 186.25
Hydrophobic surface: 323.444	Hydrophilic surface: 60.431

Pharmacophoric Properties
Hydrogen bond donors: 0	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.