MMsINC Database Search


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MMsINC code: MMs01233660

Type: Neutral
Formula: C₁₅H₁₄FNO

SMILES:

Fc1ccc(cc1)CNC(=O)c1cc(ccc1)C

InChI:

InChI=1/C15H14FNO/c1-11-3-2-4-13(9-11)15(18)17-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.9504 kcal/mol

Physical Properties
Molecular Weight: 243.281 g/mol	logS: -4.06781	SlogP: 3.33052	Reactive groups: 0

Topological Properties
Globularity: 0.0574603	Sterimol/B1: 3.59329	Sterimol/B2: 3.6169	Sterimol/B3: 3.62174
Sterimol/B4: 5.03244	Sterimol/L: 15.7256

Surface and Volume Properties
Accessible surface: 487.261	Positive charged surface: 262.895	Negative charged surface: 224.365	Volume: 240.625
Hydrophobic surface: 440.516	Hydrophilic surface: 46.745

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.