MMsINC Database Search


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MMsINC code: MMs01588301

Type: Neutral
Formula: C₂₃H₁₄FNO₅

SMILES:

Fc1ccccc1C(OCC(=O)Nc1c2c(ccc1)C(=O)c1c(cccc1)C2=O)=O

InChI:

InChI=1/C23H14FNO5/c24-17-10-4-3-8-15(17)23(29)30-12-19(26)25-18-11-5-9-16-20(18)22(28)14-7-2-1-6-13(14)21(16)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)=115.724 kcal/mol

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

Topological Properties
Globularity: 0.0119625	Sterimol/B1: 2.42503	Sterimol/B2: 3.5244	Sterimol/B3: 3.61237
Sterimol/B4: 7.57302	Sterimol/L: 20.3823

Surface and Volume Properties
Accessible surface: 644.255	Positive charged surface: 340.49	Negative charged surface: 303.765	Volume: 350.875
Hydrophobic surface: 508.235	Hydrophilic surface: 136.02

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.