MMsINC Database Search


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MMsINC code: MMs01901664

Type: Neutral
Formula: C₂₃H₂₉FN₂O₃

SMILES:

Fc1ccc(N(NC(=O)C(O)(CCCC)CCCC)C(=O)c2ccccc2)cc1

InChI:

InChI=1/C23H29FN2O3/c1-3-5-16-23(29,17-6-4-2)22(28)25-26(20-14-12-19(24)13-15-20)21(27)18-10-8-7-9-11-18/h7-15,29H,3-6,16-17H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.858 kcal/mol

Physical Properties
Molecular Weight: 400.494 g/mol	logS: -6.74465	SlogP: 4.6152	Reactive groups: 0

Topological Properties
Globularity: 0.0848454	Sterimol/B1: 2.37915	Sterimol/B2: 3.01746	Sterimol/B3: 4.06303
Sterimol/B4: 12.5553	Sterimol/L: 16.5301

Surface and Volume Properties
Accessible surface: 668.273	Positive charged surface: 403.808	Negative charged surface: 264.465	Volume: 393.625
Hydrophobic surface: 548.611	Hydrophilic surface: 119.662

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.