MMsINC Database Search


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MMsINC code: MMs02609299

Type: Neutral
Formula: C₂₀H₁₉F₂N₃O₂

SMILES:

Fc1cc(F)ccc1CN1C(N(Cc2ccccc2)C)=CC(=O)N(C)C1=O

InChI:

InChI=1/C20H19F2N3O2/c1-23(12-14-6-4-3-5-7-14)18-11-19(26)24(2)20(27)25(18)13-15-8-9-16(21)10-17(15)22/h3-11H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.0738 kcal/mol

Physical Properties
Molecular Weight: 371.387 g/mol	logS: -4.57948	SlogP: 3.865	Reactive groups: 0

Topological Properties
Globularity: 0.126283	Sterimol/B1: 2.22241	Sterimol/B2: 3.90279	Sterimol/B3: 4.32096
Sterimol/B4: 8.33399	Sterimol/L: 15.3783

Surface and Volume Properties
Accessible surface: 578.988	Positive charged surface: 353.748	Negative charged surface: 225.239	Volume: 334.625
Hydrophobic surface: 500.966	Hydrophilic surface: 78.022

Pharmacophoric Properties
Hydrogen bond donors: 0	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.