MMsINC Database Search


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MMsINC code: MMs01041974

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O

SMILES:

Fc1ccc(cc1)-c1[nH]c(C)c(c1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C19H16F2N2O/c1-12-17(10-18(23-12)14-4-8-16(21)9-5-14)19(24)22-11-13-2-6-15(20)7-3-13/h2-10,23H,11H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.888 kcal/mol

Physical Properties
Molecular Weight: 326.346 g/mol	logS: -5.04066	SlogP: 4.46472	Reactive groups: 0

Topological Properties
Globularity: 0.0447566	Sterimol/B1: 1.969	Sterimol/B2: 3.61592	Sterimol/B3: 3.62265
Sterimol/B4: 9.56201	Sterimol/L: 16.098

Surface and Volume Properties
Accessible surface: 586.568	Positive charged surface: 298.818	Negative charged surface: 287.75	Volume: 306.625
Hydrophobic surface: 514.44	Hydrophilic surface: 72.128

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.