MMsINC Database Search


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MMsINC code: MMs01417604

Type: Neutral
Formula: C₁₈H₁₈F₂N₂O₃

SMILES:

Fc1cccc(F)c1C(OC(C(=O)Nc1ccc(N(C)C)cc1)C)=O

InChI:

InChI=1/C18H18F2N2O3/c1-11(25-18(24)16-14(19)5-4-6-15(16)20)17(23)21-12-7-9-13(10-8-12)22(2)3/h4-11H,1-3H3,(H,21,23)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.439 kcal/mol

Physical Properties
Molecular Weight: 348.349 g/mol	logS: -4.60762	SlogP: 3.2148	Reactive groups: 0

Topological Properties
Globularity: 0.0298392	Sterimol/B1: 2.15757	Sterimol/B2: 3.11648	Sterimol/B3: 3.65164
Sterimol/B4: 7.46481	Sterimol/L: 18.7373

Surface and Volume Properties
Accessible surface: 611.401	Positive charged surface: 368.188	Negative charged surface: 243.213	Volume: 315.875
Hydrophobic surface: 522.784	Hydrophilic surface: 88.617

Pharmacophoric Properties
Hydrogen bond donors: 1	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.