MMsINC Database Search


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MMsINC code: MMs00701182

Type: Neutral
Formula: C₁₈H₂₂FNO₃

SMILES:

Fc1cc(ccc1)C1N(CCCCCC)C(=O)C(=O)C1C(=O)C

InChI:

InChI=1/C18H22FNO3/c1-3-4-5-6-10-20-16(13-8-7-9-14(19)11-13)15(12(2)21)17(22)18(20)23/h7-9,11,15-16H,3-6,10H2,1-2H3/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8704 kcal/mol

Physical Properties
Molecular Weight: 319.376 g/mol	logS: -4.37002	SlogP: 3.1591	Reactive groups: 0

Topological Properties
Globularity: 0.128688	Sterimol/B1: 3.17536	Sterimol/B2: 5.05152	Sterimol/B3: 5.50463
Sterimol/B4: 6.53512	Sterimol/L: 15.4695

Surface and Volume Properties
Accessible surface: 584.574	Positive charged surface: 346.874	Negative charged surface: 237.7	Volume: 309.75
Hydrophobic surface: 457.638	Hydrophilic surface: 126.936

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00701183
CHEMBRIDGE-ZINC02060946