MMsINC Database Search


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MMsINC code: MMs02914439

Type: Neutral
Formula: C₁₄H₂₀FNO

SMILES:

Fc1cc(NC(=O)C(CCCC)CC)ccc1

InChI:

InChI=1/C14H20FNO/c1-3-5-7-11(4-2)14(17)16-13-9-6-8-12(15)10-13/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)=39.7279 kcal/mol

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

Topological Properties
Globularity: 0.10291	Sterimol/B1: 2.14272	Sterimol/B2: 3.11473	Sterimol/B3: 4.22747
Sterimol/B4: 8.77484	Sterimol/L: 13.6863

Surface and Volume Properties
Accessible surface: 495.036	Positive charged surface: 318.75	Negative charged surface: 176.287	Volume: 249.125
Hydrophobic surface: 423.385	Hydrophilic surface: 71.651

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.