MMsINC Database Search


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MMsINC code: MMs02311535

Type: Neutral
Formula: C₁₀H₁₀O₄

SMILES:

O(C(=O)CC)c1ccccc1C(O)=O

InChI:

InChI=1/C10H10O4/c1-2-9(11)14-8-6-4-3-5-7(8)10(12)13/h3-6H,2H2,1H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0237 kcal/mol

Physical Properties
Molecular Weight: 194.186 g/mol	logS: -1.90957	SlogP: 1.7002	Reactive groups: 0

Topological Properties
Globularity: 0.0681479	Sterimol/B1: 2.13236	Sterimol/B2: 3.48641	Sterimol/B3: 4.142
Sterimol/B4: 5.45635	Sterimol/L: 12.215

Surface and Volume Properties
Accessible surface: 390.703	Positive charged surface: 234.241	Negative charged surface: 156.461	Volume: 177.5
Hydrophobic surface: 260.418	Hydrophilic surface: 130.285

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02311536
NCID-ZINC01676317