MMsINC Database Search


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MMsINC code: MMs01340872

Type: Neutral
Formula: C₁₂H₁₄N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C1(NC(=O)NC1=O)C

InChI:

InChI=1/C12H14N2O4/c1-12(10(15)13-11(16)14-12)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3,(H2,13,14,15,16)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9253 kcal/mol

Physical Properties
Molecular Weight: 250.254 g/mol	logS: -2.33635	SlogP: 1.0699	Reactive groups: 0

Topological Properties
Globularity: 0.144509	Sterimol/B1: 1.98709	Sterimol/B2: 4.17173	Sterimol/B3: 5.66995
Sterimol/B4: 6.01089	Sterimol/L: 12.689

Surface and Volume Properties
Accessible surface: 450.602	Positive charged surface: 317.966	Negative charged surface: 132.635	Volume: 226.875
Hydrophobic surface: 278.449	Hydrophilic surface: 172.153

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.