MMsINC Database Search


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MMsINC code: MMs00844670

Type: Neutral
Formula: C₁₄H₁₂FNO

SMILES:

Fc1ccccc1C(=O)Nc1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7205 kcal/mol

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

Topological Properties
Globularity: 0.0167706	Sterimol/B1: 2.51729	Sterimol/B2: 2.52548	Sterimol/B3: 3.6881
Sterimol/B4: 4.10748	Sterimol/L: 15.1612

Surface and Volume Properties
Accessible surface: 448.74	Positive charged surface: 243.07	Negative charged surface: 205.669	Volume: 219.875
Hydrophobic surface: 413.13	Hydrophilic surface: 35.61

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.