MMsINC Database Search


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MMsINC code: MMs01405613

Type: Neutral
Formula: C₁₆H₁₈N₄O₅

SMILES:

O=C1N(CCCC)C(=O)N(CC(=O)Nc2ccc(cc2)C(=O)N)C1=O

InChI:

InChI=1/C16H18N4O5/c1-2-3-8-19-14(23)15(24)20(16(19)25)9-12(21)18-11-6-4-10(5-7-11)13(17)22/h4-7H,2-3,8-9H2,1H3,(H2,17,22)(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.181 kcal/mol

Physical Properties
Molecular Weight: 346.343 g/mol	logS: -3.60856	SlogP: 0.3149	Reactive groups: 0

Topological Properties
Globularity: 0.0557791	Sterimol/B1: 2.59732	Sterimol/B2: 4.07437	Sterimol/B3: 4.16004
Sterimol/B4: 5.9427	Sterimol/L: 19.5859

Surface and Volume Properties
Accessible surface: 603.853	Positive charged surface: 367.138	Negative charged surface: 236.715	Volume: 307.75
Hydrophobic surface: 314.586	Hydrophilic surface: 289.267

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.