MMsINC Database Search


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MMsINC code: MMs03521784

Type: Neutral
Formula: C₁₀H₁₀N₂O₃

SMILES:

O1Cc2c(C=NCC1=O)c(O)c(nc2)C

InChI:

InChI=1/C10H10N2O3/c1-6-10(14)8-3-11-4-9(13)15-5-7(8)2-12-6/h2-3,14H,4-5H2,1H3/b11-3-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1657 kcal/mol

Physical Properties
Molecular Weight: 206.201 g/mol	logS: -0.70963	SlogP: 0.83772	Reactive groups: 0

Topological Properties
Globularity: 0.137052	Sterimol/B1: 2.65077	Sterimol/B2: 3.85138	Sterimol/B3: 3.93851
Sterimol/B4: 4.31303	Sterimol/L: 11.7649

Surface and Volume Properties
Accessible surface: 378.993	Positive charged surface: 262.755	Negative charged surface: 116.238	Volume: 183.25
Hydrophobic surface: 226.249	Hydrophilic surface: 152.744

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.