MMsINC Database Search


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MMsINC code: MMs02287319

Type: Neutral
Formula: C₁₀H₂₀O

SMILES:

OCC1(CC(CC1)C(C)C)C

InChI:

InChI=1/C10H20O/c1-8(2)9-4-5-10(3,6-9)7-11/h8-9,11H,4-7H2,1-3H3/t9-,10+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.2116 kcal/mol

Physical Properties
Molecular Weight: 156.269 g/mol	logS: -2.79458	SlogP: 2.4411	Reactive groups: 0

Topological Properties
Globularity: 0.187889	Sterimol/B1: 2.20638	Sterimol/B2: 3.23852	Sterimol/B3: 3.90204
Sterimol/B4: 5.28362	Sterimol/L: 11.4399

Surface and Volume Properties
Accessible surface: 373.411	Positive charged surface: 290.561	Negative charged surface: 82.85	Volume: 184.125
Hydrophobic surface: 271.955	Hydrophilic surface: 101.456

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.