MMsINC Database Search


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MMsINC code: MMs00735347

Type: Neutral
Formula: C₁₆H₁₁FO₃

SMILES:

Fc1ccccc1OC(=O)c1oc2c(cccc2)c1C

InChI:

InChI=1/C16H11FO3/c1-10-11-6-2-4-8-13(11)19-15(10)16(18)20-14-9-5-3-7-12(14)17/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.894 kcal/mol

Physical Properties
Molecular Weight: 270.259 g/mol	logS: -5.55264	SlogP: 4.09952	Reactive groups: 0

Topological Properties
Globularity: 0.0562567	Sterimol/B1: 1.969	Sterimol/B2: 3.44233	Sterimol/B3: 4.11435
Sterimol/B4: 6.94527	Sterimol/L: 15.9558

Surface and Volume Properties
Accessible surface: 491.831	Positive charged surface: 253.587	Negative charged surface: 232.416	Volume: 245.875
Hydrophobic surface: 455.687	Hydrophilic surface: 36.144

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.