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MMsINC code: MMs00325048

Type: Neutral
Formula: C₁₉H₂₈N₆O₂

SMILES:

O=C1N(CCN2CCCCC2)C(=O)N(c2nc3n(c12)C(C)=C(N3CC)C)C

InChI:

InChI=1/C19H28N6O2/c1-5-23-13(2)14(3)25-15-16(20-18(23)25)21(4)19(27)24(17(15)26)12-11-22-9-7-6-8-10-22/h5-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.8531 kcal/mol

Physical Properties
Molecular Weight: 372.473 g/mol	logS: -2.99721	SlogP: 2.4293	Reactive groups: 0

Topological Properties
Globularity: 0.039034	Sterimol/B1: 2.67807	Sterimol/B2: 3.98658	Sterimol/B3: 5.53556
Sterimol/B4: 5.85844	Sterimol/L: 18.6338

Surface and Volume Properties
Accessible surface: 648.773	Positive charged surface: 503.139	Negative charged surface: 145.634	Volume: 361.75
Hydrophobic surface: 531.935	Hydrophilic surface: 116.838

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00325049
ASINEX-ZINC04314463