MMsINC Database Search


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MMsINC code: MMs02365468

Type: Neutral
Formula: C₁₀H₁₀O₅

SMILES:

O(C)c1ccc(cc1)C(OCC(O)=O)=O

InChI:

InChI=1/C10H10O5/c1-14-8-4-2-7(3-5-8)10(13)15-6-9(11)12/h2-5H,6H2,1H3,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.8061 kcal/mol

Physical Properties
Molecular Weight: 210.185 g/mol	logS: -1.81283	SlogP: 0.9366	Reactive groups: 0

Topological Properties
Globularity: 0.0105556	Sterimol/B1: 2.37464	Sterimol/B2: 2.37697	Sterimol/B3: 2.59397
Sterimol/B4: 5.58801	Sterimol/L: 14.7261

Surface and Volume Properties
Accessible surface: 421.41	Positive charged surface: 269.208	Negative charged surface: 152.203	Volume: 187.875
Hydrophobic surface: 269.538	Hydrophilic surface: 151.872

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02365469
NCID-ZINC01757539