MMsINC Database Search


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MMsINC code: MMs02353362

Type: Neutral
Formula: C₁₅H₁₈FNO

SMILES:

FCCN(CCOC)c1cc2c(cc1)cccc2

InChI:

InChI=1/C15H18FNO/c1-18-11-10-17(9-8-16)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5238 kcal/mol

Physical Properties
Molecular Weight: 247.313 g/mol	logS: -3.6565	SlogP: 3.2621	Reactive groups: 1

Topological Properties
Globularity: 0.124695	Sterimol/B1: 2.2397	Sterimol/B2: 2.42782	Sterimol/B3: 4.53055
Sterimol/B4: 8.81053	Sterimol/L: 12.7613

Surface and Volume Properties
Accessible surface: 480.869	Positive charged surface: 334.331	Negative charged surface: 135.749	Volume: 251.25
Hydrophobic surface: 429.452	Hydrophilic surface: 51.417

Pharmacophoric Properties
Hydrogen bond donors: 0	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.