MMsINC Database Search


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MMsINC code: MMs02130636

Type: Neutral
Formula: C₁₅H₉F₂NO₂

SMILES:

Fc1cccc(F)c1C(Oc1c2c([nH]cc2)ccc1)=O

InChI:

InChI=1/C15H9F2NO2/c16-10-3-1-4-11(17)14(10)15(19)20-13-6-2-5-12-9(13)7-8-18-12/h1-8,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9177 kcal/mol

Physical Properties
Molecular Weight: 273.238 g/mol	logS: -4.3788	SlogP: 3.6653	Reactive groups: 0

Topological Properties
Globularity: 0.0129803	Sterimol/B1: 2.40363	Sterimol/B2: 2.47022	Sterimol/B3: 3.3948
Sterimol/B4: 7.13633	Sterimol/L: 14.0815

Surface and Volume Properties
Accessible surface: 460.125	Positive charged surface: 214.389	Negative charged surface: 242.399	Volume: 233.625
Hydrophobic surface: 373.699	Hydrophilic surface: 86.426

Pharmacophoric Properties
Hydrogen bond donors: 1	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.