MMsINC Database Search


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

MMsINC code: MMs00690188

Type: Tautomer
Formula: C₁₉H₁₄FNO₅

SMILES:

Fc1ccc(cc1)C1N(C(=O)C(=O)C1C(=O)C)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C19H14FNO5/c1-10(22)15-16(11-2-6-13(20)7-3-11)21(18(24)17(15)23)14-8-4-12(5-9-14)19(25)26/h2-9,15-16H,1H3,(H,25,26)/t15-,16+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3574 kcal/mol

Physical Properties
Molecular Weight: 355.321 g/mol	logS: -4.08864	SlogP: 2.4816	Reactive groups: 0

Topological Properties
Globularity: 0.122641	Sterimol/B1: 3.02713	Sterimol/B2: 4.76213	Sterimol/B3: 5.42117
Sterimol/B4: 5.86037	Sterimol/L: 15.3216

Surface and Volume Properties
Accessible surface: 534.435	Positive charged surface: 267.524	Negative charged surface: 266.911	Volume: 304.875
Hydrophobic surface: 337.649	Hydrophilic surface: 196.786

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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:

MMs00690187
CHEMBRIDGE-ZINC01220372