MMsINC Database Search


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MMsINC code: MMs01213238

Type: Neutral
Formula: C₁₇H₂₅FN₂O₃

SMILES:

Fc1cc(ccc1)C(=O)\N=C(/OCCOC)\NCCCCCC

InChI:

InChI=1/C17H25FN2O3/c1-3-4-5-6-10-19-17(23-12-11-22-2)20-16(21)14-8-7-9-15(18)13-14/h7-9,13H,3-6,10-12H2,1-2H3,(H,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.5852 kcal/mol

Physical Properties
Molecular Weight: 324.396 g/mol	logS: -4.60217	SlogP: 3.1548	Reactive groups: 0

Topological Properties
Globularity: 0.0722889	Sterimol/B1: 3.56833	Sterimol/B2: 4.41647	Sterimol/B3: 5.66633
Sterimol/B4: 9.13196	Sterimol/L: 16.4643

Surface and Volume Properties
Accessible surface: 662.323	Positive charged surface: 486.966	Negative charged surface: 175.357	Volume: 326.375
Hydrophobic surface: 579.187	Hydrophilic surface: 83.136

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.