MMsINC Database Search


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MMsINC code: MMs02849407

Type: Neutral
Formula: C₅H₁₀O₂

SMILES:

O1CCC(O)C1C

InChI:

InChI=1/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.9301 kcal/mol

Physical Properties
Molecular Weight: 102.133 g/mol	logS: -0.20846	SlogP: 0.1561	Reactive groups: 0

Topological Properties
Globularity: 0.245402	Sterimol/B1: 2.50205	Sterimol/B2: 2.83147	Sterimol/B3: 3.27234
Sterimol/B4: 4.39476	Sterimol/L: 7.82084

Surface and Volume Properties
Accessible surface: 272.184	Positive charged surface: 220.807	Negative charged surface: 51.3765	Volume: 104.375
Hydrophobic surface: 196.143	Hydrophilic surface: 76.041

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.