MMsINC Database Search


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MMsINC code: MMs01431386

Type: Neutral
Formula: C₁₆H₂₃FN₂O

SMILES:

Fc1ccc(cc1)C(NC(=O)CN1CCCCCC1)C

InChI:

InChI=1/C16H23FN2O/c1-13(14-6-8-15(17)9-7-14)18-16(20)12-19-10-4-2-3-5-11-19/h6-9,13H,2-5,10-12H2,1H3,(H,18,20)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3493 kcal/mol

Physical Properties
Molecular Weight: 278.371 g/mol	logS: -3.00701	SlogP: 2.9744	Reactive groups: 0

Topological Properties
Globularity: 0.0736937	Sterimol/B1: 2.17166	Sterimol/B2: 2.48431	Sterimol/B3: 4.46915
Sterimol/B4: 6.14907	Sterimol/L: 16.2561

Surface and Volume Properties
Accessible surface: 533.035	Positive charged surface: 365.422	Negative charged surface: 167.613	Volume: 284
Hydrophobic surface: 484.538	Hydrophilic surface: 48.497

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01431387
ENAMINE-ZINC03420075