MMsINC Database Search


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MMsINC code: MMs02939529

Type: Neutral
Formula: C₁₆H₁₆F₂N₂O₂

SMILES:

Fc1cc(F)ccc1NC(=O)NCCc1ccccc1OC

InChI:

InChI=1/C16H16F2N2O2/c1-22-15-5-3-2-4-11(15)8-9-19-16(21)20-14-7-6-12(17)10-13(14)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1757 kcal/mol

Physical Properties
Molecular Weight: 306.312 g/mol	logS: -3.8979	SlogP: 3.33757	Reactive groups: 0

Topological Properties
Globularity: 0.069988	Sterimol/B1: 2.40209	Sterimol/B2: 3.53089	Sterimol/B3: 3.92336
Sterimol/B4: 7.29526	Sterimol/L: 17.1164

Surface and Volume Properties
Accessible surface: 560.576	Positive charged surface: 345.868	Negative charged surface: 214.709	Volume: 278.5
Hydrophobic surface: 491.662	Hydrophilic surface: 68.914

Pharmacophoric Properties
Hydrogen bond donors: 2	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.