MMsINC Database Search


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MMsINC code: MMs00407979

Type: Neutral
Formula: C₁₅H₂₂N₆O₃

SMILES:

O=C1N(C)C(=O)N(c2ncn(c12)CCC(=O)N1CCN(CC1)C)C

InChI:

InChI=1/C15H22N6O3/c1-17-6-8-20(9-7-17)11(22)4-5-21-10-16-13-12(21)14(23)19(3)15(24)18(13)2/h10H,4-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.1114 kcal/mol

Physical Properties
Molecular Weight: 334.38 g/mol	logS: -0.68356	SlogP: -0.0446	Reactive groups: 0

Topological Properties
Globularity: 0.083535	Sterimol/B1: 2.54168	Sterimol/B2: 4.84	Sterimol/B3: 5.05524
Sterimol/B4: 5.48187	Sterimol/L: 16.6987

Surface and Volume Properties
Accessible surface: 580.072	Positive charged surface: 498.781	Negative charged surface: 81.2914	Volume: 311.25
Hydrophobic surface: 458.052	Hydrophilic surface: 122.02

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00407980
ASINEX-ZINC04943424