MMsINC Database Search


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MMsINC code: MMs02609976

Type: Neutral
Formula: C₁₄H₁₃FN₂O₅

SMILES:

Fc1c(OC)nc(Oc2ccccc2C(OC)=O)nc1OC

InChI:

InChI=1/C14H13FN2O5/c1-19-11-10(15)12(20-2)17-14(16-11)22-9-7-5-4-6-8(9)13(18)21-3/h4-7H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2173 kcal/mol

Physical Properties
Molecular Weight: 308.265 g/mol	logS: -4.07218	SlogP: 2.2118	Reactive groups: 0

Topological Properties
Globularity: 0.322541	Sterimol/B1: 2.46929	Sterimol/B2: 2.78662	Sterimol/B3: 6.7566
Sterimol/B4: 7.66589	Sterimol/L: 13.6548

Surface and Volume Properties
Accessible surface: 524.064	Positive charged surface: 381.906	Negative charged surface: 142.158	Volume: 265.5
Hydrophobic surface: 454.196	Hydrophilic surface: 69.868

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.