MMsINC Database Search


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MMsINC code: MMs01127531

Type: Neutral
Formula: C₂₄H₃₀FN₃O₂

SMILES:

Fc1ccc(cc1)CC(=O)Nc1cc(C(=O)N(CC)CC)c(N2CCCCC2)cc1

InChI:

InChI=1/C24H30FN3O2/c1-3-27(4-2)24(30)21-17-20(12-13-22(21)28-14-6-5-7-15-28)26-23(29)16-18-8-10-19(25)11-9-18/h8-13,17H,3-7,14-16H2,1-2H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.546 kcal/mol

Physical Properties
Molecular Weight: 411.521 g/mol	logS: -5.08744	SlogP: 4.47917	Reactive groups: 0

Topological Properties
Globularity: 0.125317	Sterimol/B1: 2.44991	Sterimol/B2: 3.13952	Sterimol/B3: 6.0935
Sterimol/B4: 9.33111	Sterimol/L: 18.0751

Surface and Volume Properties
Accessible surface: 708.207	Positive charged surface: 480.819	Negative charged surface: 227.388	Volume: 407.125
Hydrophobic surface: 604.556	Hydrophilic surface: 103.651

Pharmacophoric Properties
Hydrogen bond donors: 1	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.