MMsINC Database Search


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MMsINC code: MMs00271501

Type: Neutral
Formula: C₁₅H₂₃N₅O₄

SMILES:

O1CCN(CC1)Cc1nc2N(C)C(=O)N(C)C(=O)c2n1CCOC

InChI:

InChI=1/C15H23N5O4/c1-17-13-12(14(21)18(2)15(17)22)20(6-7-23-3)11(16-13)10-19-4-8-24-9-5-19/h4-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.6627 kcal/mol

Physical Properties
Molecular Weight: 337.38 g/mol	logS: -0.82572	SlogP: 0.5363	Reactive groups: 0

Topological Properties
Globularity: 0.119077	Sterimol/B1: 1.99588	Sterimol/B2: 3.65705	Sterimol/B3: 3.92498
Sterimol/B4: 9.79295	Sterimol/L: 14.5465

Surface and Volume Properties
Accessible surface: 567.414	Positive charged surface: 496.145	Negative charged surface: 71.2689	Volume: 313.125
Hydrophobic surface: 458.272	Hydrophilic surface: 109.142

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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

MMs00271502
ASINEX-ZINC02445496