MMsINC Database Search


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MMsINC code: MMs02816824

Type: Neutral
Formula: C₁₈H₁₁FN₂O₂

SMILES:

Fc1ccc(cc1)Cc1[nH]c2c(n1)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C18H11FN2O2/c19-11-7-5-10(6-8-11)9-14-20-15-16(21-14)18(23)13-4-2-1-3-12(13)17(15)22/h1-8H,9H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8181 kcal/mol

Physical Properties
Molecular Weight: 306.296 g/mol	logS: -4.72479	SlogP: 2.91497	Reactive groups: 0

Topological Properties
Globularity: 0.0691127	Sterimol/B1: 3.45733	Sterimol/B2: 4.21376	Sterimol/B3: 4.38475
Sterimol/B4: 4.50744	Sterimol/L: 15.5972

Surface and Volume Properties
Accessible surface: 524.795	Positive charged surface: 275.091	Negative charged surface: 249.703	Volume: 272.875
Hydrophobic surface: 406.64	Hydrophilic surface: 118.155

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	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

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Ions/Tautomers related molecules: no related molecules available.