MMsINC Database Search


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MMsINC code: MMs02765769

Type: Neutral
Formula: C₁₅H₁₃FO₃

SMILES:

Fc1cc(ccc1)COC(=O)c1cccc(C)c1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2492 kcal/mol

Physical Properties
Molecular Weight: 260.264 g/mol	logS: -3.62801	SlogP: 3.46312	Reactive groups: 0

Topological Properties
Globularity: 0.0594754	Sterimol/B1: 3.58063	Sterimol/B2: 3.60089	Sterimol/B3: 3.94876
Sterimol/B4: 5.02735	Sterimol/L: 15.5738

Surface and Volume Properties
Accessible surface: 494.061	Positive charged surface: 279.908	Negative charged surface: 214.152	Volume: 242.125
Hydrophobic surface: 422.431	Hydrophilic surface: 71.63

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

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Ions/Tautomers related molecules: no related molecules available.