MMsINC Database Search


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MMsINC code: MMs03937834

Type: Neutral
Formula: C₁₄H₁₀O₄

SMILES:

O1c2c(ccc(O)c2)C(=O)c2c1cccc2OC

InChI:

InChI=1/C14H10O4/c1-17-10-3-2-4-11-13(10)14(16)9-6-5-8(15)7-12(9)18-11/h2-7,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3398 kcal/mol

Physical Properties
Molecular Weight: 242.23 g/mol	logS: -3.69507	SlogP: 2.7375	Reactive groups: 0

Topological Properties
Globularity: 0.0129518	Sterimol/B1: 2.43499	Sterimol/B2: 2.51965	Sterimol/B3: 2.54932
Sterimol/B4: 6.5808	Sterimol/L: 13.3719

Surface and Volume Properties
Accessible surface: 436.445	Positive charged surface: 282.715	Negative charged surface: 153.73	Volume: 217.25
Hydrophobic surface: 348.957	Hydrophilic surface: 87.488

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.