MMsINC Database Search


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MMsINC code: MMs00086904

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccccc1CCNC1CC(=O)N(C1=O)c1ccc(cc1)C

InChI:

InChI=1/C19H19FN2O2/c1-13-6-8-15(9-7-13)22-18(23)12-17(19(22)24)21-11-10-14-4-2-3-5-16(14)20/h2-9,17,21H,10-12H2,1H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7255 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -4.26426	SlogP: 2.59829	Reactive groups: 0

Topological Properties
Globularity: 0.0484385	Sterimol/B1: 3.13626	Sterimol/B2: 3.41155	Sterimol/B3: 3.91493
Sterimol/B4: 7.04616	Sterimol/L: 18.0436

Surface and Volume Properties
Accessible surface: 590.53	Positive charged surface: 339.447	Negative charged surface: 251.082	Volume: 312.625
Hydrophobic surface: 505.33	Hydrophilic surface: 85.2

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.