MMsINC Database Search


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

MMsINC code: MMs02573529

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(C)c1ccccc1C(OCc1ccccc1)=O

InChI:

InChI=1/C15H14O3/c1-17-14-10-6-5-9-13(14)15(16)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2683 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.58489	SlogP: 3.3186	Reactive groups: 0

Topological Properties
Globularity: 0.0588638	Sterimol/B1: 2.57057	Sterimol/B2: 3.6178	Sterimol/B3: 3.61819
Sterimol/B4: 6.94425	Sterimol/L: 14.6939

Surface and Volume Properties
Accessible surface: 491.97	Positive charged surface: 310.48	Negative charged surface: 181.49	Volume: 240.875
Hydrophobic surface: 451.545	Hydrophilic surface: 40.425

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.