MMsINC Database Search


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MMsINC code: MMs00081009

Type: Neutral
Formula: C₁₅H₉FO₂

SMILES:

Fc1ccc(cc1)C=1Oc2c(cccc2)C(=O)C=1

InChI:

InChI=1/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3599 kcal/mol

Physical Properties
Molecular Weight: 240.233 g/mol	logS: -4.84347	SlogP: 3.4419	Reactive groups: 1

Topological Properties
Globularity: 7.15896e-07	Sterimol/B1: 2.09759	Sterimol/B2: 2.10269	Sterimol/B3: 3.9678
Sterimol/B4: 4.95181	Sterimol/L: 14.4946

Surface and Volume Properties
Accessible surface: 437.621	Positive charged surface: 205.29	Negative charged surface: 232.331	Volume: 218
Hydrophobic surface: 395.431	Hydrophilic surface: 42.19

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.