MMsINC Database Search


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MMsINC code: MMs02689324

Type: Neutral
Formula: C₁₇H₁₀O₄

SMILES:

o1cccc1C(=O)c1c2cc(O)c3c(c2oc1)cccc3

InChI:

InChI=1/C17H10O4/c18-14-8-12-13(16(19)15-6-3-7-20-15)9-21-17(12)11-5-2-1-4-10(11)14/h1-9,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.289 kcal/mol

Physical Properties
Molecular Weight: 278.263 g/mol	logS: -6.17052	SlogP: 4.1156	Reactive groups: 0

Topological Properties
Globularity: 0.00141433	Sterimol/B1: 2.15688	Sterimol/B2: 2.18173	Sterimol/B3: 3.81269
Sterimol/B4: 5.24368	Sterimol/L: 16.178

Surface and Volume Properties
Accessible surface: 487.474	Positive charged surface: 225.582	Negative charged surface: 245.009	Volume: 251
Hydrophobic surface: 399.913	Hydrophilic surface: 87.561

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.