MMsINC Database Search


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MMsINC code: MMs00125055

Type: Neutral
Formula: C₁₄H₁₀FNO

SMILES:

Fc1ccc(cc1)-c1oc2c(n1)cc(cc2)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.6648 kcal/mol

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

Topological Properties
Globularity: 0.00423779	Sterimol/B1: 2.10291	Sterimol/B2: 2.51211	Sterimol/B3: 2.98376
Sterimol/B4: 5.19255	Sterimol/L: 15.1268

Surface and Volume Properties
Accessible surface: 445.403	Positive charged surface: 233.81	Negative charged surface: 211.592	Volume: 215.25
Hydrophobic surface: 405.946	Hydrophilic surface: 39.457

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.