MMsINC Database Search


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MMsINC code: MMs01204830

Type: Neutral
Formula: C₂₄H₂₄F₂N₂O

SMILES:

Fc1ccc(cc1)CNC(=O)c1n(c2c(CCCC2)c1C)Cc1ccc(F)cc1

InChI:

InChI=1/C24H24F2N2O/c1-16-21-4-2-3-5-22(21)28(15-18-8-12-20(26)13-9-18)23(16)24(29)27-14-17-6-10-19(25)11-7-17/h6-13H,2-5,14-15H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7949 kcal/mol

Physical Properties
Molecular Weight: 394.465 g/mol	logS: -5.3962	SlogP: 5.46456	Reactive groups: 0

Topological Properties
Globularity: 0.152543	Sterimol/B1: 2.24457	Sterimol/B2: 2.76502	Sterimol/B3: 6.11284
Sterimol/B4: 9.49671	Sterimol/L: 15.5033

Surface and Volume Properties
Accessible surface: 660.555	Positive charged surface: 393.875	Negative charged surface: 266.68	Volume: 379.625
Hydrophobic surface: 613.973	Hydrophilic surface: 46.582

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.