MMsINC Database Search


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MMsINC code: MMs01125139

Type: Neutral
Formula: C₂₁H₁₉FN₂O₃

SMILES:

Fc1ccc(NC(=O)CCN(C(=O)c2ccoc2)Cc2ccccc2)cc1

InChI:

InChI=1/C21H19FN2O3/c22-18-6-8-19(9-7-18)23-20(25)10-12-24(14-16-4-2-1-3-5-16)21(26)17-11-13-27-15-17/h1-9,11,13,15H,10,12,14H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.067 kcal/mol

Physical Properties
Molecular Weight: 366.392 g/mol	logS: -4.9649	SlogP: 4.3563	Reactive groups: 0

Topological Properties
Globularity: 0.0663739	Sterimol/B1: 2.44791	Sterimol/B2: 3.06941	Sterimol/B3: 4.82832
Sterimol/B4: 9.21152	Sterimol/L: 17.5324

Surface and Volume Properties
Accessible surface: 628.111	Positive charged surface: 314.919	Negative charged surface: 313.191	Volume: 341.5
Hydrophobic surface: 544.24	Hydrophilic surface: 83.871

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.