MMsINC Database Search


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MMsINC code: MMs01150468

Type: Neutral
Formula: C₁₆H₂₃FN₂O₂

SMILES:

Fc1ccc(NC(=O)CNC(=O)C(CCCC)CC)cc1

InChI:

InChI=1/C16H23FN2O2/c1-3-5-6-12(4-2)16(21)18-11-15(20)19-14-9-7-13(17)8-10-14/h7-10,12H,3-6,11H2,1-2H3,(H,18,21)(H,19,20)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.3574 kcal/mol

Physical Properties
Molecular Weight: 294.37 g/mol	logS: -4.5263	SlogP: 3.0968	Reactive groups: 0

Topological Properties
Globularity: 0.0328618	Sterimol/B1: 2.56977	Sterimol/B2: 3.9179	Sterimol/B3: 4.02323
Sterimol/B4: 4.2179	Sterimol/L: 19.6248

Surface and Volume Properties
Accessible surface: 580.527	Positive charged surface: 376.952	Negative charged surface: 203.576	Volume: 294.875
Hydrophobic surface: 452.546	Hydrophilic surface: 127.981

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.