MMsINC Database Search


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

MMsINC code: MMs02572677

Type: Neutral
Formula: C₁₇H₁₆O₃

SMILES:

O(C(=O)c1ccccc1C)C(C(=O)c1ccccc1)C

InChI:

InChI=1/C17H16O3/c1-12-8-6-7-11-15(12)17(19)20-13(2)16(18)14-9-4-3-5-10-14/h3-11,13H,1-2H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6118 kcal/mol

Physical Properties
Molecular Weight: 268.312 g/mol	logS: -4.66699	SlogP: 3.42322	Reactive groups: 0

Topological Properties
Globularity: 0.056286	Sterimol/B1: 2.01989	Sterimol/B2: 2.34091	Sterimol/B3: 4.72236
Sterimol/B4: 6.67533	Sterimol/L: 16.2866

Surface and Volume Properties
Accessible surface: 515.55	Positive charged surface: 283.899	Negative charged surface: 231.651	Volume: 270.125
Hydrophobic surface: 444.481	Hydrophilic surface: 71.069

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.