MMsINC Database Search


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MMsINC code: MMs02392816

Type: Neutral
Formula: C₁₀H₁₀O₄

SMILES:

OC(=O)c1ccccc1CCC(O)=O

InChI:

InChI=1/C10H10O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.0909 kcal/mol

Physical Properties
Molecular Weight: 194.186 g/mol	logS: -1.26707	SlogP: 1.40197	Reactive groups: 0

Topological Properties
Globularity: 0.077128	Sterimol/B1: 2.4311	Sterimol/B2: 2.75347	Sterimol/B3: 2.98507
Sterimol/B4: 7.00078	Sterimol/L: 12.1537

Surface and Volume Properties
Accessible surface: 380.229	Positive charged surface: 220.271	Negative charged surface: 159.958	Volume: 176.25
Hydrophobic surface: 208.253	Hydrophilic surface: 171.976

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

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Ions/Tautomers related molecules

MMs02392817
NCID-ZINC04683163