MMsINC Database Search


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MMsINC code: MMs02493653

Type: Neutral
Formula: C₁₀H₁₈O

SMILES:

OC1CC2(C(C2)C1C)C(C)C

InChI:

InChI=1/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8+,9+,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1928 kcal/mol

Physical Properties
Molecular Weight: 154.253 g/mol	logS: -2.50453	SlogP: 2.0494	Reactive groups: 0

Topological Properties
Globularity: 0.18224	Sterimol/B1: 2.80794	Sterimol/B2: 3.13064	Sterimol/B3: 3.48786
Sterimol/B4: 4.57211	Sterimol/L: 10.761

Surface and Volume Properties
Accessible surface: 361.666	Positive charged surface: 276.198	Negative charged surface: 85.4682	Volume: 177.375
Hydrophobic surface: 254.761	Hydrophilic surface: 106.905

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.