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MMsINC code: MMs02134741

Type: Neutral
Formula: C₁₅H₁₆FNO

SMILES:

Fc1ccc(cc1)CNCC(O)c1ccccc1

InChI:

InChI=1/C15H16FNO/c16-14-8-6-12(7-9-14)10-17-11-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5222 kcal/mol

Physical Properties
Molecular Weight: 245.297 g/mol	logS: -2.98572	SlogP: 3.0108	Reactive groups: 0

Topological Properties
Globularity: 0.0386065	Sterimol/B1: 2.75353	Sterimol/B2: 3.60494	Sterimol/B3: 3.71119
Sterimol/B4: 3.82905	Sterimol/L: 16.6385

Surface and Volume Properties
Accessible surface: 500.602	Positive charged surface: 284.411	Negative charged surface: 216.191	Volume: 246.625
Hydrophobic surface: 440.801	Hydrophilic surface: 59.801

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

MMs02134742
MAYBRIDGE-ZINC00118330