MMsINC Database Search


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MMsINC code: MMs01686241

Type: Neutral
Formula: C₁₇H₁₆FNO₃

SMILES:

Fc1ccccc1CO\N=C(\C)/c1cc2OCCOc2cc1

InChI:

InChI=1/C17H16FNO3/c1-12(19-22-11-14-4-2-3-5-15(14)18)13-6-7-16-17(10-13)21-9-8-20-16/h2-7,10H,8-9,11H2,1H3/b19-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8105 kcal/mol

Physical Properties
Molecular Weight: 301.317 g/mol	logS: -4.23718	SlogP: 3.8041	Reactive groups: 0

Topological Properties
Globularity: 0.0098108	Sterimol/B1: 2.15738	Sterimol/B2: 2.87112	Sterimol/B3: 2.97442
Sterimol/B4: 6.97928	Sterimol/L: 18.271

Surface and Volume Properties
Accessible surface: 553.461	Positive charged surface: 350.084	Negative charged surface: 203.376	Volume: 282.5
Hydrophobic surface: 511.785	Hydrophilic surface: 41.676

Pharmacophoric Properties
Hydrogen bond donors: 0	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.