MMsINC Database Search


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MMsINC code: MMs00842806

Type: Neutral
Formula: C₁₉H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C1CC(=O)N(C1)C1CCCCCC1

InChI:

InChI=1/C19H25FN2O2/c20-16-9-7-14(8-10-16)12-21-19(24)15-11-18(23)22(13-15)17-5-3-1-2-4-6-17/h7-10,15,17H,1-6,11-13H2,(H,21,24)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.9734 kcal/mol

Physical Properties
Molecular Weight: 332.419 g/mol	logS: -3.66617	SlogP: 3.2796	Reactive groups: 0

Topological Properties
Globularity: 0.0705735	Sterimol/B1: 3.034	Sterimol/B2: 3.31157	Sterimol/B3: 4.48346
Sterimol/B4: 5.44641	Sterimol/L: 18.4203

Surface and Volume Properties
Accessible surface: 592.521	Positive charged surface: 398.143	Negative charged surface: 194.378	Volume: 325.375
Hydrophobic surface: 527.563	Hydrophilic surface: 64.958

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.