MMsINC Database Search


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MMsINC code: MMs00124345

Type: Neutral
Formula: C₁₃H₁₀FNO

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccccc1

InChI:

InChI=1/C13H10FNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9939 kcal/mol

Physical Properties
Molecular Weight: 215.227 g/mol	logS: -3.64985	SlogP: 3.078	Reactive groups: 0

Topological Properties
Globularity: 0.0173754	Sterimol/B1: 2.51099	Sterimol/B2: 2.53565	Sterimol/B3: 3.48145
Sterimol/B4: 3.94116	Sterimol/L: 14.5147

Surface and Volume Properties
Accessible surface: 416.864	Positive charged surface: 207.807	Negative charged surface: 209.057	Volume: 203.25
Hydrophobic surface: 378.892	Hydrophilic surface: 37.972

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.