MMsINC Database Search


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MMsINC code: MMs01136309

Type: Neutral
Formula: C₂₄H₂₄F₂N₂O

SMILES:

Fc1cc(ccc1F)Cn1c2c(CCCC2)c(C)c1C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C24H24F2N2O/c1-15-7-10-18(11-8-15)27-24(29)23-16(2)19-5-3-4-6-22(19)28(23)14-17-9-12-20(25)21(26)13-17/h7-13H,3-6,14H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8114 kcal/mol

Physical Properties
Molecular Weight: 394.465 g/mol	logS: -5.92608	SlogP: 5.82888	Reactive groups: 0

Topological Properties
Globularity: 0.104972	Sterimol/B1: 3.83532	Sterimol/B2: 3.96729	Sterimol/B3: 5.21644
Sterimol/B4: 7.3246	Sterimol/L: 16.8001

Surface and Volume Properties
Accessible surface: 650.869	Positive charged surface: 394.392	Negative charged surface: 256.477	Volume: 379.125
Hydrophobic surface: 610.068	Hydrophilic surface: 40.801

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.