MMsINC Database Search


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MMsINC code: MMs00126427

Type: Tautomer
Formula: C₁₈H₁₄FNO₃

SMILES:

Fc1ccc(cc1)C1N(C)C(=O)C(=O)C1C(=O)c1ccccc1

InChI:

InChI=1/C18H14FNO3/c1-20-15(11-7-9-13(19)10-8-11)14(17(22)18(20)23)16(21)12-5-3-2-4-6-12/h2-10,14-15H,1H3/t14-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0773 kcal/mol

Physical Properties
Molecular Weight: 311.312 g/mol	logS: -4.05592	SlogP: 2.5025	Reactive groups: 0

Topological Properties
Globularity: 0.23252	Sterimol/B1: 2.81469	Sterimol/B2: 4.80502	Sterimol/B3: 5.24719
Sterimol/B4: 5.58281	Sterimol/L: 13.0708

Surface and Volume Properties
Accessible surface: 486.961	Positive charged surface: 271.127	Negative charged surface: 215.834	Volume: 282.5
Hydrophobic surface: 381.874	Hydrophilic surface: 105.087

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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:

MMs00126426
ASINEX-ZINC00377376