MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02452580

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O(C)c1c2c(C(=O)c3c(cccc3)C2=O)c(O)cc1

InChI:

InChI=1/C15H10O4/c1-19-11-7-6-10(16)12-13(11)15(18)9-5-3-2-4-8(9)14(12)17/h2-7,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.013 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.57343	SlogP: 2.1762	Reactive groups: 0

Topological Properties
Globularity: 0.0135027	Sterimol/B1: 2.42358	Sterimol/B2: 2.44903	Sterimol/B3: 2.56222
Sterimol/B4: 7.33763	Sterimol/L: 12.7966

Surface and Volume Properties
Accessible surface: 441.006	Positive charged surface: 276.096	Negative charged surface: 164.909	Volume: 228.125
Hydrophobic surface: 330.635	Hydrophilic surface: 110.371

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.