MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02304704

Type: Neutral
Formula: C₁₄H₂₄O₄

SMILES:

OC(=O)C(CCCCCCCCCC=C)C(O)=O

InChI:

InChI=1/C14H24O4/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18/h2,12H,1,3-11H2,(H,15,16)(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.08826 kcal/mol

Physical Properties
Molecular Weight: 256.342 g/mol	logS: -4.46551	SlogP: 3.4687	Reactive groups: 0

Topological Properties
Globularity: 0.0250891	Sterimol/B1: 2.53591	Sterimol/B2: 3.43582	Sterimol/B3: 3.69706
Sterimol/B4: 4.24592	Sterimol/L: 20.2223

Surface and Volume Properties
Accessible surface: 562.294	Positive charged surface: 399.344	Negative charged surface: 162.95	Volume: 270.375
Hydrophobic surface: 340.803	Hydrophilic surface: 221.491

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02304705
NCID-ZINC01668614