MMsINC Database Search


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MMsINC code: MMs00645078

Type: Neutral
Formula: C₁₄H₁₈FNO

SMILES:

Fc1ccccc1NC(=O)CC1CCCCC1

InChI:

InChI=1/C14H18FNO/c15-12-8-4-5-9-13(12)16-14(17)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.1538 kcal/mol

Physical Properties
Molecular Weight: 235.302 g/mol	logS: -4.56514	SlogP: 3.7346	Reactive groups: 0

Topological Properties
Globularity: 0.0627448	Sterimol/B1: 2.35635	Sterimol/B2: 2.43757	Sterimol/B3: 3.94896
Sterimol/B4: 5.13781	Sterimol/L: 14.5428

Surface and Volume Properties
Accessible surface: 464.071	Positive charged surface: 314.47	Negative charged surface: 149.601	Volume: 235.5
Hydrophobic surface: 434.258	Hydrophilic surface: 29.813

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.