MMsINC Database Search


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MMsINC code: MMs00990728

Type: Neutral
Formula: C₁₅H₁₅FN₂O₃

SMILES:

Fc1ccccc1CNC(=O)CN(C(=O)c1occc1)C

InChI:

InChI=1/C15H15FN2O3/c1-18(15(20)13-7-4-8-21-13)10-14(19)17-9-11-5-2-3-6-12(11)16/h2-8H,9-10H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7444 kcal/mol

Physical Properties
Molecular Weight: 290.294 g/mol	logS: -3.41204	SlogP: 2.0735	Reactive groups: 0

Topological Properties
Globularity: 0.0349678	Sterimol/B1: 2.20022	Sterimol/B2: 2.78414	Sterimol/B3: 3.55462
Sterimol/B4: 5.85707	Sterimol/L: 17.7014

Surface and Volume Properties
Accessible surface: 530.685	Positive charged surface: 316.105	Negative charged surface: 214.58	Volume: 268
Hydrophobic surface: 449.934	Hydrophilic surface: 80.751

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.