MMsINC Database Search


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MMsINC code: MMs00112997

Type: Neutral
Formula: C₁₅H₁₁FO₄

SMILES:

Fc1ccccc1C(Oc1ccc(cc1)C(OC)=O)=O

InChI:

InChI=1/C15H11FO4/c1-19-14(17)10-6-8-11(9-7-10)20-15(18)12-4-2-3-5-13(12)16/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5089 kcal/mol

Physical Properties
Molecular Weight: 274.247 g/mol	logS: -4.17565	SlogP: 2.8315	Reactive groups: 0

Topological Properties
Globularity: 0.0379294	Sterimol/B1: 2.48581	Sterimol/B2: 3.40248	Sterimol/B3: 3.61469
Sterimol/B4: 3.71319	Sterimol/L: 17.3497

Surface and Volume Properties
Accessible surface: 499.028	Positive charged surface: 290.683	Negative charged surface: 208.346	Volume: 245.75
Hydrophobic surface: 431.131	Hydrophilic surface: 67.897

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.