MMsINC Database Search


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MMsINC code: MMs01514695

Type: Neutral
Formula: C₁₆H₁₉FN₂O₂

SMILES:

Fc1ccccc1CN1C(=O)C(NC1=O)C1CCCCC1

InChI:

InChI=1/C16H19FN2O2/c17-13-9-5-4-8-12(13)10-19-15(20)14(18-16(19)21)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,18,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.0666 kcal/mol

Physical Properties
Molecular Weight: 290.338 g/mol	logS: -4.27174	SlogP: 3.0928	Reactive groups: 0

Topological Properties
Globularity: 0.0991138	Sterimol/B1: 2.60473	Sterimol/B2: 3.20208	Sterimol/B3: 4.50444
Sterimol/B4: 5.1281	Sterimol/L: 15.5017

Surface and Volume Properties
Accessible surface: 497.318	Positive charged surface: 322.776	Negative charged surface: 174.541	Volume: 271.75
Hydrophobic surface: 412.614	Hydrophilic surface: 84.704

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