MMsINC Database Search


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

MMsINC code: MMs02434331

Type: Ionized
Formula: C₁₈H₁₃FNO₂-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6614 kcal/mol

Physical Properties
Molecular Weight: 294.305 g/mol	logS: -5.52782	SlogP: 3.02124	Reactive groups: 0

Topological Properties
Globularity: 0.0249794	Sterimol/B1: 2.57713	Sterimol/B2: 3.04202	Sterimol/B3: 5.17961
Sterimol/B4: 6.07619	Sterimol/L: 15.4516

Surface and Volume Properties
Accessible surface: 514.618	Positive charged surface: 243.865	Negative charged surface: 260.299	Volume: 276.375
Hydrophobic surface: 418.292	Hydrophilic surface: 96.326

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	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:

Parent related molecule:

MMs02434330
NCID-ZINC05053012