MMsINC Database Search


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MMsINC code: MMs01324868

Type: Neutral
Formula: C₂₃H₁₇FO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)c1ccccc1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C23H17FO4/c1-15-6-8-17(9-7-15)22(26)19-4-2-3-5-20(19)23(27)28-14-21(25)16-10-12-18(24)13-11-16/h2-13H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.655 kcal/mol

Physical Properties
Molecular Weight: 376.383 g/mol	logS: -6.70757	SlogP: 4.40482	Reactive groups: 0

Topological Properties
Globularity: 0.0849637	Sterimol/B1: 2.2876	Sterimol/B2: 2.51323	Sterimol/B3: 5.72592
Sterimol/B4: 11.0346	Sterimol/L: 15.7056

Surface and Volume Properties
Accessible surface: 638.709	Positive charged surface: 333.049	Negative charged surface: 305.661	Volume: 349.875
Hydrophobic surface: 555.221	Hydrophilic surface: 83.488

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.