MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02434330

Type: Neutral
Formula: C₁₈H₁₄FNO₂

SMILES:

Fc1ccc(cc1)-c1nc2c(cc(cc2C)C)c(c1)C(O)=O

InChI:

InChI=1/C18H14FNO2/c1-10-7-11(2)17-14(8-10)15(18(21)22)9-16(20-17)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2843 kcal/mol

Physical Properties
Molecular Weight: 295.313 g/mol	logS: -5.26737	SlogP: 4.35594	Reactive groups: 0

Topological Properties
Globularity: 0.00758097	Sterimol/B1: 2.50114	Sterimol/B2: 2.51239	Sterimol/B3: 5.20211
Sterimol/B4: 6.52816	Sterimol/L: 15.3835

Surface and Volume Properties
Accessible surface: 519.992	Positive charged surface: 267.704	Negative charged surface: 241.104	Volume: 276.375
Hydrophobic surface: 414.569	Hydrophilic surface: 105.423

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02434331
NCID-ZINC05053012