MMsINC Database Search


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MMsINC code: MMs03611746

Type: Neutral
Formula: C₁₅H₂₃FN₂O

SMILES:

Fc1ccc(NC(=O)NCC(CCCC)CC)cc1

InChI:

InChI=1/C15H23FN2O/c1-3-5-6-12(4-2)11-17-15(19)18-14-9-7-13(16)8-10-14/h7-10,12H,3-6,11H2,1-2H3,(H2,17,18,19)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.6187 kcal/mol

Physical Properties
Molecular Weight: 266.36 g/mol	logS: -4.5148	SlogP: 4.1636	Reactive groups: 0

Topological Properties
Globularity: 0.061851	Sterimol/B1: 2.16807	Sterimol/B2: 3.22216	Sterimol/B3: 4.28861
Sterimol/B4: 8.73283	Sterimol/L: 16.6525

Surface and Volume Properties
Accessible surface: 554.341	Positive charged surface: 368.283	Negative charged surface: 186.058	Volume: 275.75
Hydrophobic surface: 451.625	Hydrophilic surface: 102.716

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.