MMsINC Database Search


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

MMsINC code: MMs02628258

Type: Neutral
Formula: C₁₄H₁₀O₄

SMILES:

o1c(ccc1C)C(=O)c1c2cc(O)ccc2oc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.8098 kcal/mol

Physical Properties
Molecular Weight: 242.23 g/mol	logS: -4.60603	SlogP: 3.27082	Reactive groups: 0

Topological Properties
Globularity: 0.00595642	Sterimol/B1: 2.05919	Sterimol/B2: 2.50248	Sterimol/B3: 3.00107
Sterimol/B4: 5.61349	Sterimol/L: 14.4376

Surface and Volume Properties
Accessible surface: 448.062	Positive charged surface: 226.924	Negative charged surface: 215.507	Volume: 219.5
Hydrophobic surface: 350.66	Hydrophilic surface: 97.402

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.