MMsINC Database Search


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MMsINC code: MMs02664821

Type: Neutral
Formula: C₁₄H₁₀FNO

SMILES:

Fc1cc(ccc1)-c1oc2c(n1)cc(cc2)C

InChI:

InChI=1/C14H10FNO/c1-9-5-6-13-12(7-9)16-14(17-13)10-3-2-4-11(15)8-10/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.193 kcal/mol

Physical Properties
Molecular Weight: 227.238 g/mol	logS: -5.46945	SlogP: 3.94232	Reactive groups: 0

Topological Properties
Globularity: 0.00426219	Sterimol/B1: 2.10272	Sterimol/B2: 2.5121	Sterimol/B3: 3.1986
Sterimol/B4: 5.20312	Sterimol/L: 14.8478

Surface and Volume Properties
Accessible surface: 443.66	Positive charged surface: 234.854	Negative charged surface: 208.806	Volume: 214.5
Hydrophobic surface: 404.204	Hydrophilic surface: 39.456

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.