MMsINC Database Search


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MMsINC code: MMs03003034

Type: Neutral
Formula: C₁₄H₂₀FNO

SMILES:

Fc1cc(ccc1)C(=O)NC(CCCCC)C

InChI:

InChI=1/C14H20FNO/c1-3-4-5-7-11(2)16-14(17)12-8-6-9-13(15)10-12/h6,8-11H,3-5,7H2,1-2H3,(H,16,17)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.8439 kcal/mol

Physical Properties
Molecular Weight: 237.318 g/mol	logS: -4.22784	SlogP: 3.5243	Reactive groups: 0

Topological Properties
Globularity: 0.0818112	Sterimol/B1: 2.3748	Sterimol/B2: 3.2445	Sterimol/B3: 3.69498
Sterimol/B4: 7.50313	Sterimol/L: 14.8147

Surface and Volume Properties
Accessible surface: 503.626	Positive charged surface: 321.273	Negative charged surface: 182.352	Volume: 247.75
Hydrophobic surface: 429.003	Hydrophilic surface: 74.623

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.