MMsINC Database Search


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MMsINC code: MMs03230558

Type: Neutral
Formula: C₁₉H₂₉FO

SMILES:

FC1CC2CCC3C4CCC(=O)C4(CCC3C2(CC1)C)C

InChI:

InChI=1/C19H29FO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3/t12-,13+,14-,15+,16-,18-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.5 kcal/mol

Physical Properties
Molecular Weight: 292.438 g/mol	logS: -5.07284	SlogP: 5.3562	Reactive groups: 0

Topological Properties
Globularity: 0.166084	Sterimol/B1: 1.969	Sterimol/B2: 3.9579	Sterimol/B3: 4.81874
Sterimol/B4: 5.62311	Sterimol/L: 13.4299

Surface and Volume Properties
Accessible surface: 482.267	Positive charged surface: 338.028	Negative charged surface: 144.239	Volume: 296.375
Hydrophobic surface: 381.435	Hydrophilic surface: 100.832

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 7

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.