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MMsINC code: MMs02313119

Type: Neutral
Formula: C₁₀H₁₆O₂

SMILES:

OC(=O)C12CCC(CC1)C2(C)C

InChI:

InChI=1/C10H16O2/c1-9(2)7-3-5-10(9,6-4-7)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)/t7-,10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7612 kcal/mol

Physical Properties
Molecular Weight: 168.236 g/mol	logS: -2.57107	SlogP: 2.2874	Reactive groups: 0

Topological Properties
Globularity: 0.724411	Sterimol/B1: 2.28436	Sterimol/B2: 2.3745	Sterimol/B3: 4.91373
Sterimol/B4: 5.43094	Sterimol/L: 9.28801

Surface and Volume Properties
Accessible surface: 344.096	Positive charged surface: 237.231	Negative charged surface: 106.865	Volume: 173.625
Hydrophobic surface: 234.266	Hydrophilic surface: 109.83

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs02313120
NCID-ZINC01678324