MMsINC Database Search


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MMsINC code: MMs02404893

Type: Neutral
Formula: C₁₉H₃₀O₂

SMILES:

OC1CC2CCC3C4CC(=O)CC4(CCC3C2(CC1)C)C

InChI:

InChI=1/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-13,15-17,20H,3-11H2,1-2H3/t12-,13-,15+,16-,17-,18+,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.364 kcal/mol

Physical Properties
Molecular Weight: 290.447 g/mol	logS: -5.17351	SlogP: 3.9591	Reactive groups: 0

Topological Properties
Globularity: 0.12776	Sterimol/B1: 2.0243	Sterimol/B2: 3.48311	Sterimol/B3: 4.7619
Sterimol/B4: 5.47537	Sterimol/L: 14.9898

Surface and Volume Properties
Accessible surface: 487.696	Positive charged surface: 354.461	Negative charged surface: 133.236	Volume: 299.75
Hydrophobic surface: 362.538	Hydrophilic surface: 125.158

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.