MMsINC Database Search


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MMsINC code: MMs01627622

Type: Neutral
Formula: C₁₉H₂₄FNO₂

SMILES:

Fc1ccccc1OCC(=O)NCC12CC3CC(C1)CC(C2)C3

InChI:

InChI=1/C19H24FNO2/c20-16-3-1-2-4-17(16)23-11-18(22)21-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,21,22)/t13-,14+,15-,19-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7919 kcal/mol

Physical Properties
Molecular Weight: 317.404 g/mol	logS: -5.62053	SlogP: 3.5371	Reactive groups: 0

Topological Properties
Globularity: 0.054371	Sterimol/B1: 2.56515	Sterimol/B2: 3.62321	Sterimol/B3: 3.62558
Sterimol/B4: 5.77332	Sterimol/L: 17.0206

Surface and Volume Properties
Accessible surface: 563.773	Positive charged surface: 383.215	Negative charged surface: 180.557	Volume: 308
Hydrophobic surface: 517.821	Hydrophilic surface: 45.952

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.