MMsINC Database Search


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MMsINC code: MMs02475700

Type: Neutral
Formula: C₂₄H₄₆O₂

SMILES:

OC(C(O)C1CCCCCCCCCC1)C1CCCCCCCCCC1

InChI:

InChI=1/C24H46O2/c25-23(21-17-13-9-5-1-2-6-10-14-18-21)24(26)22-19-15-11-7-3-4-8-12-16-20-22/h21-26H,1-20H2/t23-,24+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.333 kcal/mol

Physical Properties
Molecular Weight: 366.63 g/mol	logS: -8.6864	SlogP: 6.7698	Reactive groups: 0

Topological Properties
Globularity: 0.0762357	Sterimol/B1: 2.40875	Sterimol/B2: 4.79136	Sterimol/B3: 4.91042
Sterimol/B4: 5.7761	Sterimol/L: 17.1577

Surface and Volume Properties
Accessible surface: 637.423	Positive charged surface: 509.872	Negative charged surface: 127.551	Volume: 413.125
Hydrophobic surface: 603.206	Hydrophilic surface: 34.217

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.