MMsINC Database Search


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MMsINC code: MMs02203018

Type: Neutral
Formula: C₁₁H₁₀N₂O₃

SMILES:

Oc1ccc(cc1)CC1=CNC(=O)NC1=O

InChI:

InChI=1/C11H10N2O3/c14-9-3-1-7(2-4-9)5-8-6-12-11(16)13-10(8)15/h1-4,6,14H,5H2,(H2,12,13,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=2.47828 kcal/mol

Physical Properties
Molecular Weight: 218.212 g/mol	logS: -1.89006	SlogP: 0.65797	Reactive groups: 0

Topological Properties
Globularity: 0.13516	Sterimol/B1: 2.8243	Sterimol/B2: 3.27462	Sterimol/B3: 3.97861
Sterimol/B4: 4.82724	Sterimol/L: 12.9013

Surface and Volume Properties
Accessible surface: 403.587	Positive charged surface: 238.468	Negative charged surface: 165.118	Volume: 194.75
Hydrophobic surface: 203.122	Hydrophilic surface: 200.465

Pharmacophoric Properties
Hydrogen bond donors: 3	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.