MMsINC Database Search


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MMsINC code: MMs01697317

Type: Neutral
Formula: C₁₄H₁₂FNO₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccc(O)cc1

InChI:

InChI=1/C14H12FNO2/c15-12-5-1-10(2-6-12)9-16-14(18)11-3-7-13(17)8-4-11/h1-8,17H,9H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5547 kcal/mol

Physical Properties
Molecular Weight: 245.253 g/mol	logS: -3.23194	SlogP: 2.7277	Reactive groups: 0

Topological Properties
Globularity: 0.0670973	Sterimol/B1: 2.42994	Sterimol/B2: 4.20554	Sterimol/B3: 4.23938
Sterimol/B4: 4.8547	Sterimol/L: 14.8616

Surface and Volume Properties
Accessible surface: 469.762	Positive charged surface: 253.185	Negative charged surface: 216.576	Volume: 228.875
Hydrophobic surface: 371.894	Hydrophilic surface: 97.868

Pharmacophoric Properties
Hydrogen bond donors: 2	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.