MMsINC Database Search


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MMsINC code: MMs02642363

Type: Neutral
Formula: C₁₇H₁₈FNO

SMILES:

Fc1c2c(cccc2)c(cc1)C(=O)NC1CCCCC1

InChI:

InChI=1/C17H18FNO/c18-16-11-10-15(13-8-4-5-9-14(13)16)17(20)19-12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7752 kcal/mol

Physical Properties
Molecular Weight: 271.335 g/mol	logS: -5.17501	SlogP: 4.0414	Reactive groups: 0

Topological Properties
Globularity: 0.0428974	Sterimol/B1: 2.55291	Sterimol/B2: 2.88221	Sterimol/B3: 3.56458
Sterimol/B4: 7.41285	Sterimol/L: 15.1253

Surface and Volume Properties
Accessible surface: 501.656	Positive charged surface: 305.087	Negative charged surface: 185.498	Volume: 269.25
Hydrophobic surface: 475.111	Hydrophilic surface: 26.545

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