MMsINC Database Search


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MMsINC code: MMs03469569

Type: Neutral
Formula: C₁₄H₁₀O₈

SMILES:

OC(=O)/C(/O)=C/C(=O)c1cc(ccc1)C(=O)\C=C(/O)\C(O)=O

InChI:

InChI=1/C14H10O8/c15-9(5-11(17)13(19)20)7-2-1-3-8(4-7)10(16)6-12(18)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b11-5-,12-6-


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1863 kcal/mol

Physical Properties
Molecular Weight: 306.226 g/mol	logS: -2.34618	SlogP: 1.105	Reactive groups: 1

Topological Properties
Globularity: 4.19333e-08	Sterimol/B1: 2.097	Sterimol/B2: 2.09876	Sterimol/B3: 2.5647
Sterimol/B4: 5.88566	Sterimol/L: 18.9905

Surface and Volume Properties
Accessible surface: 509.982	Positive charged surface: 260.015	Negative charged surface: 249.967	Volume: 255
Hydrophobic surface: 180.5	Hydrophilic surface: 329.482

Pharmacophoric Properties
Hydrogen bond donors: 8	Hydrogen bond acceptors: 8	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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