MMsINC Database Search


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MMsINC code: MMs00488798

Type: Neutral
Formula: C₁₅H₁₃FO₃

SMILES:

Fc1ccc(cc1)COc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C15H13FO3/c1-18-15(17)12-4-8-14(9-5-12)19-10-11-2-6-13(16)7-3-11/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1524 kcal/mol

Physical Properties
Molecular Weight: 260.264 g/mol	logS: -3.87987	SlogP: 3.4577	Reactive groups: 0

Topological Properties
Globularity: 0.0460031	Sterimol/B1: 2.50751	Sterimol/B2: 3.6194	Sterimol/B3: 3.61987
Sterimol/B4: 4.94448	Sterimol/L: 17.3847

Surface and Volume Properties
Accessible surface: 501.456	Positive charged surface: 296.802	Negative charged surface: 204.653	Volume: 244.5
Hydrophobic surface: 452.082	Hydrophilic surface: 49.374

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

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Ions/Tautomers related molecules: no related molecules available.