MMsINC Database Search


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MMsINC code: MMs00383125

Type: Neutral
Formula: C₁₅H₁₉N₃O₅

SMILES:

O(C(=O)c1cc(ccc1)\C=N\N/C(/O)=C\C(=O)NCCOC)C

InChI:

InChI=1/C15H19N3O5/c1-22-7-6-16-13(19)9-14(20)18-17-10-11-4-3-5-12(8-11)15(21)23-2/h3-5,8-10,18,20H,6-7H2,1-2H3,(H,16,19)/b14-9+,17-10+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9582 kcal/mol

Physical Properties
Molecular Weight: 321.333 g/mol	logS: -2.11585	SlogP: 0.5587	Reactive groups: 0

Topological Properties
Globularity: 0.00659595	Sterimol/B1: 2.30941	Sterimol/B2: 3.34935	Sterimol/B3: 3.56165
Sterimol/B4: 5.66193	Sterimol/L: 21.7607

Surface and Volume Properties
Accessible surface: 621.232	Positive charged surface: 456.822	Negative charged surface: 164.41	Volume: 303
Hydrophobic surface: 461.569	Hydrophilic surface: 159.663

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00383126 ASINEX-ZINC04853751	MMs00383127 ASINEX-ZINC04853751	MMs00383128 ASINEX-ZINC04853751
MMs00383129 ASINEX-ZINC04853751