MMsINC Database Search


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MMsINC code: MMs01523281

Type: Neutral
Formula: C₁₇H₁₆FNO

SMILES:

Fc1ccccc1C(=O)NC1CCCc2c1cccc2

InChI:

InChI=1/C17H16FNO/c18-15-10-4-3-9-14(15)17(20)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10,16H,5,7,11H2,(H,19,20)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0468 kcal/mol

Physical Properties
Molecular Weight: 269.319 g/mol	logS: -4.49475	SlogP: 3.72857	Reactive groups: 0

Topological Properties
Globularity: 0.0928325	Sterimol/B1: 2.44963	Sterimol/B2: 3.12226	Sterimol/B3: 4.26141
Sterimol/B4: 7.19756	Sterimol/L: 14.1333

Surface and Volume Properties
Accessible surface: 491.207	Positive charged surface: 281.114	Negative charged surface: 210.093	Volume: 260.625
Hydrophobic surface: 464.507	Hydrophilic surface: 26.7

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.