MMsINC Database Search


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MMsINC code: MMs00117853

Type: Neutral
Formula: C₁₅H₁₅FN₂O

SMILES:

Fc1ccc(cc1)CCNC(=O)Nc1ccccc1

InChI:

InChI=1/C15H15FN2O/c16-13-8-6-12(7-9-13)10-11-17-15(19)18-14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.021 kcal/mol

Physical Properties
Molecular Weight: 258.296 g/mol	logS: -3.55254	SlogP: 3.18987	Reactive groups: 0

Topological Properties
Globularity: 0.043595	Sterimol/B1: 3.26511	Sterimol/B2: 3.34117	Sterimol/B3: 3.87463
Sterimol/B4: 4.54165	Sterimol/L: 17.1543

Surface and Volume Properties
Accessible surface: 507.971	Positive charged surface: 295.777	Negative charged surface: 212.194	Volume: 253.25
Hydrophobic surface: 441.333	Hydrophilic surface: 66.638

Pharmacophoric Properties
Hydrogen bond donors: 2	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.