MMsINC Database Search


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MMsINC code: MMs01685125

Type: Neutral
Formula: C₁₇H₁₇F₂N₃O₂

SMILES:

FC(F)Oc1ccc(cc1)C(=O)N1CCN(CC1)c1ncccc1

InChI:

InChI=1/C17H17F2N3O2/c18-17(19)24-14-6-4-13(5-7-14)16(23)22-11-9-21(10-12-22)15-3-1-2-8-20-15/h1-8,17H,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.882 kcal/mol

Physical Properties
Molecular Weight: 333.338 g/mol	logS: -2.48298	SlogP: 3.0653	Reactive groups: 0

Topological Properties
Globularity: 0.0641405	Sterimol/B1: 3.23381	Sterimol/B2: 4.05072	Sterimol/B3: 4.14006
Sterimol/B4: 5.45477	Sterimol/L: 17.0269

Surface and Volume Properties
Accessible surface: 552.482	Positive charged surface: 351.376	Negative charged surface: 201.106	Volume: 300
Hydrophobic surface: 409.591	Hydrophilic surface: 142.891

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.