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MMsINC code: MMs03741137

Type: Ionized
Formula: C₁₈H₁₅FNO₃-

SMILES:

Fc1ccc(cc1)\C=C/C(=O)NC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C18H16FNO3/c19-15-9-6-13(7-10-15)8-11-17(21)20-16(18(22)23)12-14-4-2-1-3-5-14/h1-11,16H,12H2,(H,20,21)(H,22,23)/p-1/b11-8-/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0369 kcal/mol

Physical Properties
Molecular Weight: 312.32 g/mol	logS: -4.41747	SlogP: 1.31627	Reactive groups: 0

Topological Properties
Globularity: 0.119869	Sterimol/B1: 3.39746	Sterimol/B2: 3.97496	Sterimol/B3: 4.19153
Sterimol/B4: 6.16665	Sterimol/L: 14.7154

Surface and Volume Properties
Accessible surface: 531.322	Positive charged surface: 270.965	Negative charged surface: 260.357	Volume: 297.625
Hydrophobic surface: 442.428	Hydrophilic surface: 88.894

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

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:

MMs03741136
PUBCHEM-ZINC06452333