MMsINC Database Search


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MMsINC code: MMs02764621

Type: Neutral
Formula: C₁₄H₁₉FN₂O

SMILES:

Fc1cc(NC(=O)NC2CCCCC2)c(cc1)C

InChI:

InChI=1/C14H19FN2O/c1-10-7-8-11(15)9-13(10)17-14(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.0206 kcal/mol

Physical Properties
Molecular Weight: 250.317 g/mol	logS: -3.35478	SlogP: 3.58832	Reactive groups: 0

Topological Properties
Globularity: 0.0679323	Sterimol/B1: 1.99727	Sterimol/B2: 3.54432	Sterimol/B3: 4.04353
Sterimol/B4: 7.06161	Sterimol/L: 14.8772

Surface and Volume Properties
Accessible surface: 491.124	Positive charged surface: 331.707	Negative charged surface: 159.417	Volume: 245.625
Hydrophobic surface: 444.23	Hydrophilic surface: 46.894

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.