MMsINC Database Search


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MMsINC code: MMs00696147

Type: Neutral
Formula: C₁₇H₁₈FNO₂

SMILES:

Fc1ccc(NC(=O)CCCOc2ccccc2C)cc1

InChI:

InChI=1/C17H18FNO2/c1-13-5-2-3-6-16(13)21-12-4-7-17(20)19-15-10-8-14(18)9-11-15/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.2461 kcal/mol

Physical Properties
Molecular Weight: 287.334 g/mol	logS: -3.97083	SlogP: 3.93182	Reactive groups: 0

Topological Properties
Globularity: 0.0140676	Sterimol/B1: 1.969	Sterimol/B2: 2.39871	Sterimol/B3: 2.9895
Sterimol/B4: 6.70329	Sterimol/L: 18.8241

Surface and Volume Properties
Accessible surface: 561.203	Positive charged surface: 338.31	Negative charged surface: 222.892	Volume: 280.625
Hydrophobic surface: 518.632	Hydrophilic surface: 42.571

Pharmacophoric Properties
Hydrogen bond donors: 1	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.