MMsINC Database Search


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MMsINC code: MMs02228780

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccccc1CC(NC(=O)c1ccccc1)C(O)=O

InChI:

InChI=1/C16H14FNO3/c17-13-9-5-4-8-12(13)10-14(16(20)21)18-15(19)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19)(H,20,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.809 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -3.6512	SlogP: 2.25137	Reactive groups: 0

Topological Properties
Globularity: 0.134385	Sterimol/B1: 3.37174	Sterimol/B2: 3.95755	Sterimol/B3: 4.61957
Sterimol/B4: 7.11253	Sterimol/L: 13.1711

Surface and Volume Properties
Accessible surface: 501.764	Positive charged surface: 262.78	Negative charged surface: 238.984	Volume: 264.375
Hydrophobic surface: 387.632	Hydrophilic surface: 114.132

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

MMs02228781
NCID-ZINC01567822