MMsINC Database Search


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MMsINC code: MMs02980125

Type: Neutral
Formula: C₁₅H₁₀FNO₄

SMILES:

Fc1cc2c(Oc3nc(C)c(cc3C2=O)C(OC)=O)cc1

InChI:

InChI=1/C15H10FNO4/c1-7-9(15(19)20-2)6-11-13(18)10-5-8(16)3-4-12(10)21-14(11)17-7/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4193 kcal/mol

Physical Properties
Molecular Weight: 287.246 g/mol	logS: -4.04986	SlogP: 2.65242	Reactive groups: 0

Topological Properties
Globularity: 0.0111569	Sterimol/B1: 2.40126	Sterimol/B2: 2.46873	Sterimol/B3: 2.5053
Sterimol/B4: 6.98357	Sterimol/L: 14.9053

Surface and Volume Properties
Accessible surface: 482.419	Positive charged surface: 293.654	Negative charged surface: 188.766	Volume: 244.125
Hydrophobic surface: 390.827	Hydrophilic surface: 91.592

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.