MMsINC Database Search


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MMsINC code: MMs02667367

Type: Neutral
Formula: C₁₄H₁₅N₃O₄

SMILES:

O=C1N(C)C(=O)N(C)C(Nc2cc(ccc2)C(OC)=O)=C1

InChI:

InChI=1/C14H15N3O4/c1-16-11(8-12(18)17(2)14(16)20)15-10-6-4-5-9(7-10)13(19)21-3/h4-8,15H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.579 kcal/mol

Physical Properties
Molecular Weight: 289.291 g/mol	logS: -2.52836	SlogP: 1.2503	Reactive groups: 0

Topological Properties
Globularity: 0.0726225	Sterimol/B1: 2.17126	Sterimol/B2: 3.04511	Sterimol/B3: 4.24679
Sterimol/B4: 6.14322	Sterimol/L: 16.7924

Surface and Volume Properties
Accessible surface: 513.872	Positive charged surface: 367.69	Negative charged surface: 146.182	Volume: 264.625
Hydrophobic surface: 378.938	Hydrophilic surface: 134.934

Pharmacophoric Properties
Hydrogen bond donors: 1	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.