MMsINC Database Search


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

MMsINC code: MMs03754200

Type: Neutral
Formula: C₁₃H₁₀O₂

SMILES:

Oc1ccccc1-c1ccc(cc1)C=O

InChI:

InChI=1/C13H10O2/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15/h1-9,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1055 kcal/mol

Physical Properties
Molecular Weight: 198.221 g/mol	logS: -3.45542	SlogP: 2.8717	Reactive groups: 1

Topological Properties
Globularity: 0.0576786	Sterimol/B1: 2.28253	Sterimol/B2: 2.374	Sterimol/B3: 3.4573
Sterimol/B4: 5.18973	Sterimol/L: 13.3996

Surface and Volume Properties
Accessible surface: 406.428	Positive charged surface: 228.001	Negative charged surface: 174.276	Volume: 196.25
Hydrophobic surface: 303.008	Hydrophilic surface: 103.42

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.