MMsINC Database Search


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MMsINC code: MMs02174137

Type: Neutral
Formula: C₁₇H₁₅F₅N₄O

SMILES:

Fc1cc(F)ccc1NC(=O)N1CCN(CC1)c1ncccc1C(F)(F)F

InChI:

InChI=1/C17H15F5N4O/c18-11-3-4-14(13(19)10-11)24-16(27)26-8-6-25(7-9-26)15-12(17(20,21)22)2-1-5-23-15/h1-5,10H,6-9H2,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.157 kcal/mol

Physical Properties
Molecular Weight: 386.324 g/mol	logS: -3.89242	SlogP: 4.0442	Reactive groups: 0

Topological Properties
Globularity: 0.0662946	Sterimol/B1: 2.50733	Sterimol/B2: 2.84635	Sterimol/B3: 4.64247
Sterimol/B4: 5.69528	Sterimol/L: 17.677

Surface and Volume Properties
Accessible surface: 568.826	Positive charged surface: 315.985	Negative charged surface: 252.841	Volume: 309.125
Hydrophobic surface: 440.2	Hydrophilic surface: 128.626

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.