MMsINC Database Search


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MMsINC code: MMs02215971

Type: Neutral
Formula: C₁₀H₁₄O₄

SMILES:

O(C)c1cc(CO)c(cc1OC)CO

InChI:

InChI=1/C10H14O4/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4,11-12H,5-6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0366 kcal/mol

Physical Properties
Molecular Weight: 198.218 g/mol	logS: -1.02768	SlogP: 1.2212	Reactive groups: 0

Topological Properties
Globularity: 0.0432245	Sterimol/B1: 2.37368	Sterimol/B2: 2.38423	Sterimol/B3: 2.49257
Sterimol/B4: 6.86127	Sterimol/L: 9.5467

Surface and Volume Properties
Accessible surface: 412.437	Positive charged surface: 334.47	Negative charged surface: 77.9672	Volume: 192.625
Hydrophobic surface: 283.802	Hydrophilic surface: 128.635

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: no related molecules available.