MMsINC Database Search


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MMsINC code: MMs00016622

Type: Neutral
Formula: C₁₀H₁₄O

SMILES:

o1cc(c2CCC(Cc12)C)C

InChI:

InChI=1/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.3831 kcal/mol

Physical Properties
Molecular Weight: 150.221 g/mol	logS: -2.74803	SlogP: 2.71276	Reactive groups: 0

Topological Properties
Globularity: 0.072518	Sterimol/B1: 2.84658	Sterimol/B2: 2.89414	Sterimol/B3: 3.02973
Sterimol/B4: 4.60587	Sterimol/L: 11.0846

Surface and Volume Properties
Accessible surface: 357.161	Positive charged surface: 247.523	Negative charged surface: 109.637	Volume: 164.875
Hydrophobic surface: 324.073	Hydrophilic surface: 33.088

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

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.