MMsINC Database Search


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MMsINC code: MMs00906344

Type: Neutral
Formula: C₂₃H₂₄F₂N₂O₂

SMILES:

Fc1ccc(cc1)C1N(Cc2ccc(F)cc2)C(=O)CN(C1=O)C1CCCCC1

InChI:

InChI=1/C23H24F2N2O2/c24-18-10-6-16(7-11-18)14-27-21(28)15-26(20-4-2-1-3-5-20)23(29)22(27)17-8-12-19(25)13-9-17/h6-13,20,22H,1-5,14-15H2/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.998 kcal/mol

Physical Properties
Molecular Weight: 398.453 g/mol	logS: -5.46944	SlogP: 4.5715	Reactive groups: 0

Topological Properties
Globularity: 0.196514	Sterimol/B1: 3.54245	Sterimol/B2: 3.91914	Sterimol/B3: 5.27826
Sterimol/B4: 9.75988	Sterimol/L: 14.1317

Surface and Volume Properties
Accessible surface: 631.277	Positive charged surface: 379.088	Negative charged surface: 252.189	Volume: 372
Hydrophobic surface: 583.578	Hydrophilic surface: 47.699

Pharmacophoric Properties
Hydrogen bond donors: 0	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.