MMsINC Database Search


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MMsINC code: MMs01467758

Type: Neutral
Formula: C₁₆H₂₁FN₂O₄

SMILES:

Fc1ccccc1C(=O)NCC(OCC(=O)NC(CCC)C)=O

InChI:

InChI=1/C16H21FN2O4/c1-3-6-11(2)19-14(20)10-23-15(21)9-18-16(22)12-7-4-5-8-13(12)17/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,22)(H,19,20)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0404 kcal/mol

Physical Properties
Molecular Weight: 324.352 g/mol	logS: -3.77814	SlogP: 1.4035	Reactive groups: 1

Topological Properties
Globularity: 0.0279526	Sterimol/B1: 2.24598	Sterimol/B2: 2.5364	Sterimol/B3: 4.42029
Sterimol/B4: 6.47175	Sterimol/L: 20.2564

Surface and Volume Properties
Accessible surface: 616.748	Positive charged surface: 390.011	Negative charged surface: 226.737	Volume: 307.25
Hydrophobic surface: 445.872	Hydrophilic surface: 170.876

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.