MMsINC Database Search


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MMsINC code: MMs00103466

Type: Neutral
Formula: C₁₅H₁₆FNO

SMILES:

Fc1ccccc1CNCc1ccc(OC)cc1

InChI:

InChI=1/C15H16FNO/c1-18-14-8-6-12(7-9-14)10-17-11-13-4-2-3-5-15(13)16/h2-9,17H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.1323 kcal/mol

Physical Properties
Molecular Weight: 245.297 g/mol	logS: -3.23864	SlogP: 3.6569	Reactive groups: 0

Topological Properties
Globularity: 0.102852	Sterimol/B1: 2.75149	Sterimol/B2: 3.26024	Sterimol/B3: 4.62443
Sterimol/B4: 5.27582	Sterimol/L: 15.7679

Surface and Volume Properties
Accessible surface: 502.727	Positive charged surface: 321.701	Negative charged surface: 181.026	Volume: 246.75
Hydrophobic surface: 469.738	Hydrophilic surface: 32.989

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

MMs00103467
ASINEX-ZINC00267291