MMsINC Database Search


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MMsINC code: MMs02374075

Type: Neutral
Formula: C₁₆H₁₃F₂NO₂

SMILES:

FC(F)(Oc1c(cccc1C)C)c1oc2c(n1)cccc2

InChI:

InChI=1/C16H13F2NO2/c1-10-6-5-7-11(2)14(10)21-16(17,18)15-19-12-8-3-4-9-13(12)20-15/h3-9H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3141 kcal/mol

Physical Properties
Molecular Weight: 289.281 g/mol	logS: -4.74523	SlogP: 4.88444	Reactive groups: 0

Topological Properties
Globularity: 0.071666	Sterimol/B1: 2.2435	Sterimol/B2: 3.78581	Sterimol/B3: 4.02556
Sterimol/B4: 7.25864	Sterimol/L: 15.9028

Surface and Volume Properties
Accessible surface: 505.534	Positive charged surface: 263.377	Negative charged surface: 242.156	Volume: 260.125
Hydrophobic surface: 423.57	Hydrophilic surface: 81.964

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.