MMsINC Database Search


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MMsINC code: MMs01539748

Type: Neutral
Formula: C₁₆H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CN1C(=O)C2(NC1=O)CCC(CC2)C

InChI:

InChI=1/C16H19FN2O2/c1-11-6-8-16(9-7-11)14(20)19(15(21)18-16)10-12-2-4-13(17)5-3-12/h2-5,11H,6-10H2,1H3,(H,18,21)/t11-,16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.0339 kcal/mol

Physical Properties
Molecular Weight: 290.338 g/mol	logS: -4.08373	SlogP: 3.0928	Reactive groups: 0

Topological Properties
Globularity: 0.119123	Sterimol/B1: 3.07873	Sterimol/B2: 3.42686	Sterimol/B3: 4.41314
Sterimol/B4: 4.96592	Sterimol/L: 14.9001

Surface and Volume Properties
Accessible surface: 500.297	Positive charged surface: 310.731	Negative charged surface: 189.565	Volume: 273.375
Hydrophobic surface: 397.146	Hydrophilic surface: 103.151

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.