MMsINC Database Search


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MMsINC code: MMs01637705

Type: Neutral
Formula: C₂₃H₁₄FNO₅

SMILES:

Fc1ccc(cc1)C(OCC(=O)Nc1c2c(ccc1)C(=O)c1c(cccc1)C2=O)=O

InChI:

InChI=1/C23H14FNO5/c24-14-10-8-13(9-11-14)23(29)30-12-19(26)25-18-7-3-6-17-20(18)22(28)16-5-2-1-4-15(16)21(17)27/h1-11H,12H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.41 kcal/mol

Physical Properties
Molecular Weight: 403.365 g/mol	logS: -6.55814	SlogP: 3.3966	Reactive groups: 0

Topological Properties
Globularity: 0.011914	Sterimol/B1: 2.41215	Sterimol/B2: 3.52573	Sterimol/B3: 3.62343
Sterimol/B4: 7.56223	Sterimol/L: 20.6483

Surface and Volume Properties
Accessible surface: 648.073	Positive charged surface: 334.424	Negative charged surface: 313.649	Volume: 351.5
Hydrophobic surface: 509.377	Hydrophilic surface: 138.696

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.