MMsINC Database Search


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MMsINC code: MMs03623798

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)NC(Cc1ccccc1)C(OC)=O

InChI:

InChI=1/C18H19FN2O3/c1-24-17(22)16(11-13-5-3-2-4-6-13)21-18(23)20-12-14-7-9-15(19)10-8-14/h2-10,16H,11-12H2,1H3,(H2,20,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.2146 kcal/mol

Physical Properties
Molecular Weight: 330.359 g/mol	logS: -3.90475	SlogP: 2.67557	Reactive groups: 1

Topological Properties
Globularity: 0.0699115	Sterimol/B1: 2.07239	Sterimol/B2: 3.39995	Sterimol/B3: 3.62707
Sterimol/B4: 10.8517	Sterimol/L: 15.4841

Surface and Volume Properties
Accessible surface: 607.787	Positive charged surface: 373.266	Negative charged surface: 234.521	Volume: 313.875
Hydrophobic surface: 523.746	Hydrophilic surface: 84.041

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.