MMsINC Database Search


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MMsINC code: MMs00066770

Type: Neutral
Formula: C₁₅H₁₄FNO

SMILES:

Fc1ccccc1C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C15H14FNO/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16/h2-11H,1H3,(H,17,18)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.772 kcal/mol

Physical Properties
Molecular Weight: 243.281 g/mol	logS: -3.9211	SlogP: 3.4122	Reactive groups: 0

Topological Properties
Globularity: 0.0719789	Sterimol/B1: 2.16916	Sterimol/B2: 2.29458	Sterimol/B3: 4.68104
Sterimol/B4: 6.22399	Sterimol/L: 14.0576

Surface and Volume Properties
Accessible surface: 477.114	Positive charged surface: 252.559	Negative charged surface: 224.555	Volume: 239.125
Hydrophobic surface: 425.844	Hydrophilic surface: 51.27

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.