MMsINC Database Search


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MMsINC code: MMs00794525

Type: Neutral
Formula: C₁₇H₁₄FNO₂

SMILES:

Fc1ccccc1NC(=O)Cc1c2cc(ccc2oc1)C

InChI:

InChI=1/C17H14FNO2/c1-11-6-7-16-13(8-11)12(10-21-16)9-17(20)19-15-5-3-2-4-14(15)18/h2-8,10H,9H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2876 kcal/mol

Physical Properties
Molecular Weight: 283.302 g/mol	logS: -5.63057	SlogP: 4.06149	Reactive groups: 0

Topological Properties
Globularity: 0.118174	Sterimol/B1: 2.08683	Sterimol/B2: 3.45385	Sterimol/B3: 4.57106
Sterimol/B4: 8.05589	Sterimol/L: 14.3618

Surface and Volume Properties
Accessible surface: 517.058	Positive charged surface: 284.89	Negative charged surface: 228.5	Volume: 267.375
Hydrophobic surface: 470.969	Hydrophilic surface: 46.089

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