MMsINC Database Search


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MMsINC code: MMs00262514

Type: Neutral
Formula: C₁₄H₂₀FNO

SMILES:

Fc1ccccc1NC(=O)C(CCCC)CC

InChI:

InChI=1/C14H20FNO/c1-3-5-8-11(4-2)14(17)16-13-10-7-6-9-12(13)15/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,17)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9238 kcal/mol

Physical Properties
Molecular Weight: 237.318 g/mol	logS: -4.35373	SlogP: 3.9806	Reactive groups: 0

Topological Properties
Globularity: 0.0829473	Sterimol/B1: 2.80009	Sterimol/B2: 3.27083	Sterimol/B3: 4.19709
Sterimol/B4: 4.69175	Sterimol/L: 15.8774

Surface and Volume Properties
Accessible surface: 489.357	Positive charged surface: 314.705	Negative charged surface: 174.652	Volume: 248.25
Hydrophobic surface: 417.921	Hydrophilic surface: 71.436

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