MMsINC Database Search


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MMsINC code: MMs01064669

Type: Neutral
Formula: C₁₉H₂₇N₅O₂

SMILES:

O=C1N(C=Nc2n3CCCCCc3nc12)CC(=O)NC1CCCCCC1

InChI:

InChI=1/C19H27N5O2/c25-16(21-14-8-4-1-2-5-9-14)12-23-13-20-18-17(19(23)26)22-15-10-6-3-7-11-24(15)18/h13-14H,1-12H2,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2206 kcal/mol

Physical Properties
Molecular Weight: 357.458 g/mol	logS: -3.72408	SlogP: 2.83047	Reactive groups: 0

Topological Properties
Globularity: 0.0561724	Sterimol/B1: 2.61482	Sterimol/B2: 3.21539	Sterimol/B3: 4.9143
Sterimol/B4: 6.43327	Sterimol/L: 18.6474

Surface and Volume Properties
Accessible surface: 618.723	Positive charged surface: 471.534	Negative charged surface: 147.189	Volume: 343
Hydrophobic surface: 497.97	Hydrophilic surface: 120.753

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.