MMsINC Database Search


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MMsINC code: MMs02094119

Type: Neutral
Formula: C₁₇H₁₃FO₃

SMILES:

Fc1ccc(cc1)C(=O)c1oc2c(cc(OC)cc2)c1C

InChI:

InChI=1/C17H13FO3/c1-10-14-9-13(20-2)7-8-15(14)21-17(10)16(19)11-3-5-12(18)6-4-11/h3-9H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3618 kcal/mol

Physical Properties
Molecular Weight: 284.286 g/mol	logS: -5.56177	SlogP: 4.11992	Reactive groups: 0

Topological Properties
Globularity: 0.00678987	Sterimol/B1: 1.969	Sterimol/B2: 2.3418	Sterimol/B3: 2.51946
Sterimol/B4: 7.76911	Sterimol/L: 16.5656

Surface and Volume Properties
Accessible surface: 499.672	Positive charged surface: 292.006	Negative charged surface: 202.264	Volume: 260.875
Hydrophobic surface: 463.256	Hydrophilic surface: 36.416

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.