MMsINC Database Search


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MMsINC code: MMs00610487

Type: Neutral
Formula: C₁₇H₁₈FNO₂

SMILES:

Fc1ccccc1NC(=O)CCCc1ccc(OC)cc1

InChI:

InChI=1/C17H18FNO2/c1-21-14-11-9-13(10-12-14)5-4-8-17(20)19-16-7-3-2-6-15(16)18/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0002 kcal/mol

Physical Properties
Molecular Weight: 287.334 g/mol	logS: -4.15884	SlogP: 3.79567	Reactive groups: 0

Topological Properties
Globularity: 0.0417629	Sterimol/B1: 3.06255	Sterimol/B2: 3.42781	Sterimol/B3: 4.12282
Sterimol/B4: 5.69113	Sterimol/L: 18.5409

Surface and Volume Properties
Accessible surface: 559.592	Positive charged surface: 359.109	Negative charged surface: 200.482	Volume: 281.625
Hydrophobic surface: 507.426	Hydrophilic surface: 52.166

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.