MMsINC Database Search


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MMsINC code: MMs03848877

Type: Neutral
Formula: C₁₅H₂₁FN₂O

SMILES:

Fc1ccc(cc1)CCNC(=O)NC1CCCCC1

InChI:

InChI=1/C15H21FN2O/c16-13-8-6-12(7-9-13)10-11-17-15(19)18-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.57326 kcal/mol

Physical Properties
Molecular Weight: 264.344 g/mol	logS: -3.19982	SlogP: 3.00007	Reactive groups: 1

Topological Properties
Globularity: 0.0426615	Sterimol/B1: 2.65573	Sterimol/B2: 2.69956	Sterimol/B3: 3.91192
Sterimol/B4: 5.09348	Sterimol/L: 17.6756

Surface and Volume Properties
Accessible surface: 525.665	Positive charged surface: 362.581	Negative charged surface: 163.085	Volume: 264.625
Hydrophobic surface: 461.815	Hydrophilic surface: 63.85

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.