MMsINC Database Search


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MMsINC code: MMs03273394

Type: Neutral
Formula: C₁₇H₃₆O₂

SMILES:

OC(CCCCCCCCCCCCC(C)C)CO

InChI:

InChI=1/C17H36O2/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-17(19)15-18/h16-19H,3-15H2,1-2H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.0575 kcal/mol

Physical Properties
Molecular Weight: 272.473 g/mol	logS: -6.4123	SlogP: 4.6768	Reactive groups: 0

Topological Properties
Globularity: 0.0165936	Sterimol/B1: 2.11354	Sterimol/B2: 2.7731	Sterimol/B3: 3.45288
Sterimol/B4: 4.44298	Sterimol/L: 24.4021

Surface and Volume Properties
Accessible surface: 652.091	Positive charged surface: 544.155	Negative charged surface: 107.935	Volume: 326.625
Hydrophobic surface: 518.444	Hydrophilic surface: 133.647

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.