MMsINC Database Search


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MMsINC code: MMs02764731

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccccc1COC(=O)c1ccccc1NC(=O)C

InChI:

InChI=1/C16H14FNO3/c1-11(19)18-15-9-5-3-7-13(15)16(20)21-10-12-6-2-4-8-14(12)17/h2-9H,10H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.2582 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -4.03894	SlogP: 3.4075	Reactive groups: 0

Topological Properties
Globularity: 0.00996893	Sterimol/B1: 2.18653	Sterimol/B2: 2.4707	Sterimol/B3: 2.76085
Sterimol/B4: 8.19646	Sterimol/L: 15.4132

Surface and Volume Properties
Accessible surface: 520.158	Positive charged surface: 284.032	Negative charged surface: 236.127	Volume: 264.5
Hydrophobic surface: 448.846	Hydrophilic surface: 71.312

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.