MMsINC Database Search


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MMsINC code: MMs01721150

Type: Neutral
Formula: C₁₇H₂₅FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)NCCC(C)C

InChI:

InChI=1/C17H25FN2O2/c1-11(2)9-10-19-17(22)15(12(3)4)20-16(21)13-7-5-6-8-14(13)18/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,22)(H,20,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0892 kcal/mol

Physical Properties
Molecular Weight: 308.397 g/mol	logS: -4.28873	SlogP: 2.7424	Reactive groups: 0

Topological Properties
Globularity: 0.0629401	Sterimol/B1: 2.51904	Sterimol/B2: 4.5191	Sterimol/B3: 5.01306
Sterimol/B4: 5.15317	Sterimol/L: 18.123

Surface and Volume Properties
Accessible surface: 573.913	Positive charged surface: 369.616	Negative charged surface: 204.296	Volume: 312
Hydrophobic surface: 442.314	Hydrophilic surface: 131.599

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.