MMsINC Database Search


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MMsINC code: MMs02227545

Type: Neutral
Formula: C₁₀H₁₄FNO

SMILES:

Fc1ccc(cc1)C(O)CNCC

InChI:

InChI=1/C10H14FNO/c1-2-12-7-10(13)8-3-5-9(11)6-4-8/h3-6,10,12-13H,2,7H2,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.7405 kcal/mol

Physical Properties
Molecular Weight: 183.226 g/mol	logS: -1.54503	SlogP: 1.5641	Reactive groups: 0

Topological Properties
Globularity: 0.0735254	Sterimol/B1: 2.78796	Sterimol/B2: 3.52048	Sterimol/B3: 3.55794
Sterimol/B4: 3.70543	Sterimol/L: 13.7197

Surface and Volume Properties
Accessible surface: 402.748	Positive charged surface: 254.164	Negative charged surface: 148.585	Volume: 183.875
Hydrophobic surface: 327.095	Hydrophilic surface: 75.653

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs02227546
NCID-ZINC01566178