MMsINC Database Search


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MMsINC code: MMs02145353

Type: Neutral
Formula: C₁₇H₈FNO₄

SMILES:

Fc1c2c(N=C(OC2=O)C2=Cc3c(OC2=O)cccc3)ccc1

InChI:

InChI=1/C17H8FNO4/c18-11-5-3-6-12-14(11)17(21)23-15(19-12)10-8-9-4-1-2-7-13(9)22-16(10)20/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.268 kcal/mol

Physical Properties
Molecular Weight: 309.252 g/mol	logS: -6.23229	SlogP: 3.0287	Reactive groups: 0

Topological Properties
Globularity: 0.00605266	Sterimol/B1: 2.12639	Sterimol/B2: 2.84433	Sterimol/B3: 3.70622
Sterimol/B4: 5.14573	Sterimol/L: 16.3765

Surface and Volume Properties
Accessible surface: 504.389	Positive charged surface: 247.171	Negative charged surface: 257.218	Volume: 259
Hydrophobic surface: 382.423	Hydrophilic surface: 121.966

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.