MMsINC Database Search


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MMsINC code: MMs00262520

Type: Neutral
Formula: C₁₄H₂₀FNO

SMILES:

Fc1ccc(NC(=O)C(CCCC)CC)cc1

InChI:

InChI=1/C14H20FNO/c1-3-5-6-11(4-2)14(17)16-13-9-7-12(15)8-10-13/h7-11H,3-6H2,1-2H3,(H,16,17)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.9979 kcal/mol

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

Topological Properties
Globularity: 0.087258	Sterimol/B1: 2.84133	Sterimol/B2: 3.08112	Sterimol/B3: 4.20812
Sterimol/B4: 4.6654	Sterimol/L: 16.1582

Surface and Volume Properties
Accessible surface: 495.754	Positive charged surface: 315.741	Negative charged surface: 180.013	Volume: 246.75
Hydrophobic surface: 423.947	Hydrophilic surface: 71.807

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.