MMsINC Database Search


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MMsINC code: MMs02089058

Type: Neutral
Formula: C₂₁H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)CC(=O)Nc1ccc(cc1)-c1oc2c(n1)cccc2

InChI:

InChI=1/C21H15FN2O2/c22-16-9-5-14(6-10-16)13-20(25)23-17-11-7-15(8-12-17)21-24-18-3-1-2-4-19(18)26-21/h1-12H,13H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7776 kcal/mol

Physical Properties
Molecular Weight: 346.361 g/mol	logS: -7.02699	SlogP: 4.81507	Reactive groups: 0

Topological Properties
Globularity: 0.029842	Sterimol/B1: 3.62786	Sterimol/B2: 3.96591	Sterimol/B3: 4.10741
Sterimol/B4: 5.23017	Sterimol/L: 19.6146

Surface and Volume Properties
Accessible surface: 614.996	Positive charged surface: 342.633	Negative charged surface: 272.363	Volume: 322
Hydrophobic surface: 538.362	Hydrophilic surface: 76.634

Pharmacophoric Properties
Hydrogen bond donors: 1	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.