MMsINC Database Search


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MMsINC code: MMs01203143

Type: Neutral
Formula: C₂₃H₂₇N₇O

SMILES:

O=C(N(Cc1c(n(nc1C)C)C)Cc1n(ncc1)-c1ccccc1)c1n(nc(c1)C)C

InChI:

InChI=1/C23H27N7O/c1-16-13-22(28(5)25-16)23(31)29(15-21-17(2)26-27(4)18(21)3)14-20-11-12-24-30(20)19-9-7-6-8-10-19/h6-13H,14-15H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.143 kcal/mol

Physical Properties
Molecular Weight: 417.517 g/mol	logS: -3.02084	SlogP: 4.35836	Reactive groups: 0

Topological Properties
Globularity: 0.323158	Sterimol/B1: 2.53629	Sterimol/B2: 3.43476	Sterimol/B3: 6.07061
Sterimol/B4: 9.9571	Sterimol/L: 14.1876

Surface and Volume Properties
Accessible surface: 657.142	Positive charged surface: 454.825	Negative charged surface: 202.317	Volume: 411.125
Hydrophobic surface: 589.611	Hydrophilic surface: 67.531

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: no related molecules available.