MMsINC Database Search


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MMsINC code: MMs03076066

Type: Neutral
Formula: C₁₁H₁₅N₅O₃

SMILES:

O1CC(n2c3ncnc(N)c3nc2)C(CO)C1CO

InChI:

InChI=1/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)7-3-19-8(2-18)6(7)1-17/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,8+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0061 kcal/mol

Physical Properties
Molecular Weight: 265.273 g/mol	logS: -1.36082	SlogP: -0.9553	Reactive groups: 0

Topological Properties
Globularity: 0.12692	Sterimol/B1: 2.81885	Sterimol/B2: 3.38441	Sterimol/B3: 4.45731
Sterimol/B4: 5.14914	Sterimol/L: 13.8857

Surface and Volume Properties
Accessible surface: 468.507	Positive charged surface: 371.076	Negative charged surface: 97.4306	Volume: 234.875
Hydrophobic surface: 196.124	Hydrophilic surface: 272.383

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.