MMsINC Database Search


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MMsINC code: MMs00930190

Type: Neutral
Formula: C₁₉H₁₈FNO₃

SMILES:

Fc1ccc(cc1)Cn1c2c(cc(O)cc2)c(C(OCC)=O)c1C

InChI:

InChI=1/C19H18FNO3/c1-3-24-19(23)18-12(2)21(11-13-4-6-14(20)7-5-13)17-9-8-15(22)10-16(17)18/h4-10,22H,3,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9802 kcal/mol

Physical Properties
Molecular Weight: 327.355 g/mol	logS: -4.29205	SlogP: 4.28582	Reactive groups: 0

Topological Properties
Globularity: 0.187061	Sterimol/B1: 2.68578	Sterimol/B2: 3.3237	Sterimol/B3: 5.66199
Sterimol/B4: 8.8526	Sterimol/L: 13.7936

Surface and Volume Properties
Accessible surface: 569.035	Positive charged surface: 319.634	Negative charged surface: 243.648	Volume: 309.75
Hydrophobic surface: 447.871	Hydrophilic surface: 121.164

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.