MMsINC Database Search


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MMsINC code: MMs00605898

Type: Neutral
Formula: C₁₈H₁₀O₃

SMILES:

O1c2c(c3c(cc2)cccc3)C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C18H10O3/c19-17-13-7-3-4-8-14(13)18(20)21-15-10-9-11-5-1-2-6-12(11)16(15)17/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.281 kcal/mol

Physical Properties
Molecular Weight: 274.275 g/mol	logS: -5.80413	SlogP: 3.6034	Reactive groups: 0

Topological Properties
Globularity: 0.0545508	Sterimol/B1: 2.67963	Sterimol/B2: 3.35547	Sterimol/B3: 3.85292
Sterimol/B4: 6.20063	Sterimol/L: 13.8676

Surface and Volume Properties
Accessible surface: 465.099	Positive charged surface: 214.743	Negative charged surface: 239.285	Volume: 251
Hydrophobic surface: 388.631	Hydrophilic surface: 76.468

Pharmacophoric Properties
Hydrogen bond donors: 0	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.