MMsINC Database Search


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MMsINC code: MMs00126426

Type: Neutral
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/h2-10,15,22H,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6422 kcal/mol

Physical Properties
Molecular Weight: 311.312 g/mol	logS: -4.15758	SlogP: 3.1293	Reactive groups: 1

Topological Properties
Globularity: 0.228109	Sterimol/B1: 2.37667	Sterimol/B2: 3.60987	Sterimol/B3: 5.88969
Sterimol/B4: 7.52675	Sterimol/L: 12.6973

Surface and Volume Properties
Accessible surface: 521.306	Positive charged surface: 286.398	Negative charged surface: 234.908	Volume: 286.375
Hydrophobic surface: 410.347	Hydrophilic surface: 110.959

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs00126429
ASINEX-ZINC00377376