MMsINC Database Search


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MMsINC code: MMs00069836

Type: Neutral
Formula: C₁₉H₁₈F₂N₂O₂

SMILES:

Fc1cc(ccc1N1CCN(CC1)C(=O)c1ccc(F)cc1)C(=O)C

InChI:

InChI=1/C19H18F2N2O2/c1-13(24)15-4-7-18(17(21)12-15)22-8-10-23(11-9-22)19(25)14-2-5-16(20)6-3-14/h2-7,12H,8-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.958 kcal/mol

Physical Properties
Molecular Weight: 344.361 g/mol	logS: -4.19784	SlogP: 3.1298	Reactive groups: 0

Topological Properties
Globularity: 0.0828361	Sterimol/B1: 3.34894	Sterimol/B2: 3.78805	Sterimol/B3: 4.15008
Sterimol/B4: 5.57562	Sterimol/L: 17.9019

Surface and Volume Properties
Accessible surface: 575.56	Positive charged surface: 329.831	Negative charged surface: 245.728	Volume: 313.25
Hydrophobic surface: 490.844	Hydrophilic surface: 84.716

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.