MMsINC Database Search


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MMsINC code: MMs01712126

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccccc1CNC(=O)C1N(Cc2c(C1)cccc2)C(=O)C

InChI:

InChI=1/C19H19FN2O2/c1-13(23)22-12-16-8-3-2-6-14(16)10-18(22)19(24)21-11-15-7-4-5-9-17(15)20/h2-9,18H,10-12H2,1H3,(H,21,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8487 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -3.8517	SlogP: 2.94807	Reactive groups: 0

Topological Properties
Globularity: 0.0772116	Sterimol/B1: 2.23353	Sterimol/B2: 3.21476	Sterimol/B3: 4.08288
Sterimol/B4: 7.99428	Sterimol/L: 16.8487

Surface and Volume Properties
Accessible surface: 573.026	Positive charged surface: 341.169	Negative charged surface: 231.857	Volume: 307.875
Hydrophobic surface: 516.007	Hydrophilic surface: 57.019

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.