MMsINC Database Search


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MMsINC code: MMs00599975

Type: Neutral
Formula: C₁₆H₁₆FNO

SMILES:

Fc1ccc(cc1)C(=O)NC(CC)c1ccccc1

InChI:

InChI=1/C16H16FNO/c1-2-15(12-6-4-3-5-7-12)18-16(19)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8476 kcal/mol

Physical Properties
Molecular Weight: 257.308 g/mol	logS: -4.12287	SlogP: 3.8023	Reactive groups: 0

Topological Properties
Globularity: 0.0877978	Sterimol/B1: 2.17488	Sterimol/B2: 2.4771	Sterimol/B3: 4.19121
Sterimol/B4: 7.36358	Sterimol/L: 14.2888

Surface and Volume Properties
Accessible surface: 487.801	Positive charged surface: 264.053	Negative charged surface: 223.747	Volume: 254.75
Hydrophobic surface: 445.743	Hydrophilic surface: 42.058

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.