MMsINC Database Search


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MMsINC code: MMs00867282

Type: Neutral
Formula: C₁₄H₁₉FN₂O

SMILES:

Fc1ccc(cc1)CNC(=O)NC1CCCCC1

InChI:

InChI=1/C14H19FN2O/c15-12-8-6-11(7-9-12)10-16-14(18)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-6.40218 kcal/mol

Physical Properties
Molecular Weight: 250.317 g/mol	logS: -3.13835	SlogP: 3.224	Reactive groups: 1

Topological Properties
Globularity: 0.0528965	Sterimol/B1: 2.52836	Sterimol/B2: 2.82883	Sterimol/B3: 3.83914
Sterimol/B4: 4.98237	Sterimol/L: 16.5744

Surface and Volume Properties
Accessible surface: 499.377	Positive charged surface: 337.973	Negative charged surface: 161.404	Volume: 248.25
Hydrophobic surface: 432.974	Hydrophilic surface: 66.403

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.