MMsINC Database Search


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MMsINC code: MMs00070004

Type: Neutral
Formula: C₁₈H₉F₂NO₂

SMILES:

Fc1cc(F)ccc1N1C(=O)c2c3c(cccc3ccc2)C1=O

InChI:

InChI=1/C18H9F2NO2/c19-11-7-8-15(14(20)9-11)21-17(22)12-5-1-3-10-4-2-6-13(16(10)12)18(21)23/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2909 kcal/mol

Physical Properties
Molecular Weight: 309.271 g/mol	logS: -6.22643	SlogP: 3.9186	Reactive groups: 0

Topological Properties
Globularity: 0.0704413	Sterimol/B1: 2.44065	Sterimol/B2: 3.62748	Sterimol/B3: 3.86554
Sterimol/B4: 7.23893	Sterimol/L: 14.5035

Surface and Volume Properties
Accessible surface: 486.981	Positive charged surface: 216.307	Negative charged surface: 259.602	Volume: 261.875
Hydrophobic surface: 429.631	Hydrophilic surface: 57.35

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.