MMsINC Database Search


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MMsINC code: MMs01225378

Type: Neutral
Formula: C₁₄H₁₂FNO

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C14H12FNO/c1-10-3-2-4-13(9-10)16-14(17)11-5-7-12(15)8-6-11/h2-9H,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7352 kcal/mol

Physical Properties
Molecular Weight: 229.254 g/mol	logS: -4.12377	SlogP: 3.38642	Reactive groups: 0

Topological Properties
Globularity: 0.0215395	Sterimol/B1: 2.1879	Sterimol/B2: 2.52662	Sterimol/B3: 3.04796
Sterimol/B4: 5.70144	Sterimol/L: 14.933

Surface and Volume Properties
Accessible surface: 444.02	Positive charged surface: 233.032	Negative charged surface: 210.988	Volume: 222.25
Hydrophobic surface: 407.016	Hydrophilic surface: 37.004

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.