MMsINC Database Search


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MMsINC code: MMs00770938

Type: Neutral
Formula: C₁₄H₁₉FN₂O

SMILES:

Fc1ccccc1NC(=O)NC1CCCCCC1

InChI:

InChI=1/C14H19FN2O/c15-12-9-5-6-10-13(12)17-14(18)16-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6683 kcal/mol

Physical Properties
Molecular Weight: 250.317 g/mol	logS: -3.70953	SlogP: 3.67	Reactive groups: 0

Topological Properties
Globularity: 0.0758062	Sterimol/B1: 2.425	Sterimol/B2: 2.65988	Sterimol/B3: 4.53404
Sterimol/B4: 5.08728	Sterimol/L: 15.0546

Surface and Volume Properties
Accessible surface: 474.398	Positive charged surface: 317.919	Negative charged surface: 156.478	Volume: 245.5
Hydrophobic surface: 421.314	Hydrophilic surface: 53.084

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.