MMsINC Database Search


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MMsINC code: MMs00629896

Type: Neutral
Formula: C₁₅H₁₃F₂NO₂

SMILES:

Fc1cc(NC(=O)C(OC)c2ccccc2)ccc1F

InChI:

InChI=1/C15H13F2NO2/c1-20-14(10-5-3-2-4-6-10)15(19)18-11-7-8-12(16)13(17)9-11/h2-9,14H,1H3,(H,18,19)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8115 kcal/mol

Physical Properties
Molecular Weight: 277.27 g/mol	logS: -4.08747	SlogP: 3.3865	Reactive groups: 0

Topological Properties
Globularity: 0.192848	Sterimol/B1: 2.19303	Sterimol/B2: 3.82525	Sterimol/B3: 4.19627
Sterimol/B4: 8.42214	Sterimol/L: 13.1149

Surface and Volume Properties
Accessible surface: 500.28	Positive charged surface: 282.469	Negative charged surface: 217.812	Volume: 250
Hydrophobic surface: 470.179	Hydrophilic surface: 30.101

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.