MMsINC Database Search


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MMsINC code: MMs03649443

Type: Neutral
Formula: C₁₉H₂₉FO

SMILES:

FC1CC2CC(=O)C3C(CCC4(C3CCC4)C)C2(CC1)C

InChI:

InChI=1/C19H29FO/c1-18-7-3-4-14(18)17-15(6-8-18)19(2)9-5-13(20)10-12(19)11-16(17)21/h12-15,17H,3-11H2,1-2H3/t12-,13+,14-,15-,17-,18-,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.545 kcal/mol

Physical Properties
Molecular Weight: 292.438 g/mol	logS: -5.69974	SlogP: 5.3562	Reactive groups: 0

Topological Properties
Globularity: 0.248617	Sterimol/B1: 3.00216	Sterimol/B2: 3.4552	Sterimol/B3: 5.56599
Sterimol/B4: 5.60131	Sterimol/L: 12.4166

Surface and Volume Properties
Accessible surface: 470.651	Positive charged surface: 329.054	Negative charged surface: 141.597	Volume: 297.25
Hydrophobic surface: 377.326	Hydrophilic surface: 93.325

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.