MMsINC Database Search


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MMsINC code: MMs00079663

Type: Neutral
Formula: C₁₆H₁₁FN₂O₃

SMILES:

Fc1ccccc1NC(=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C16H11FN2O3/c17-12-7-3-4-8-13(12)18-14(20)9-19-15(21)10-5-1-2-6-11(10)16(19)22/h1-8H,9H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5469 kcal/mol

Physical Properties
Molecular Weight: 298.273 g/mol	logS: -4.22614	SlogP: 2.0604	Reactive groups: 0

Topological Properties
Globularity: 0.0790312	Sterimol/B1: 2.97575	Sterimol/B2: 3.78998	Sterimol/B3: 4.81392
Sterimol/B4: 5.2925	Sterimol/L: 15.7377

Surface and Volume Properties
Accessible surface: 515.78	Positive charged surface: 267.402	Negative charged surface: 248.377	Volume: 261
Hydrophobic surface: 397.094	Hydrophilic surface: 118.686

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.