MMsINC Database Search


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MMsINC code: MMs01721226

Type: Neutral
Formula: C₁₇H₂₅FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)NC(CC)(C)C

InChI:

InChI=1/C17H25FN2O2/c1-6-17(4,5)20-16(22)14(11(2)3)19-15(21)12-9-7-8-10-13(12)18/h7-11,14H,6H2,1-5H3,(H,19,21)(H,20,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9488 kcal/mol

Physical Properties
Molecular Weight: 308.397 g/mol	logS: -3.91271	SlogP: 2.8849	Reactive groups: 0

Topological Properties
Globularity: 0.0702818	Sterimol/B1: 2.94296	Sterimol/B2: 3.43996	Sterimol/B3: 4.02933
Sterimol/B4: 6.31059	Sterimol/L: 16.6482

Surface and Volume Properties
Accessible surface: 559.444	Positive charged surface: 343.802	Negative charged surface: 215.642	Volume: 311.25
Hydrophobic surface: 429.146	Hydrophilic surface: 130.298

Pharmacophoric Properties
Hydrogen bond donors: 2	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.