MMsINC Database Search


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MMsINC code: MMs00875265

Type: Neutral
Formula: C₁₈H₂₆N₆O

SMILES:

O(CC)c1cc2c(nc(nc2C)NC=2NCN(CN=2)CCCC)cc1

InChI:

InChI=1/C18H26N6O/c1-4-6-9-24-11-19-17(20-12-24)23-18-21-13(3)15-10-14(25-5-2)7-8-16(15)22-18/h7-8,10H,4-6,9,11-12H2,1-3H3,(H2,19,20,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.99743 kcal/mol

Physical Properties
Molecular Weight: 342.447 g/mol	logS: -4.06715	SlogP: 2.72512	Reactive groups: 0

Topological Properties
Globularity: 0.021673	Sterimol/B1: 2.55285	Sterimol/B2: 2.55484	Sterimol/B3: 3.97445
Sterimol/B4: 9.32844	Sterimol/L: 17.8825

Surface and Volume Properties
Accessible surface: 652.191	Positive charged surface: 496.672	Negative charged surface: 150.911	Volume: 345.375
Hydrophobic surface: 479.742	Hydrophilic surface: 172.449

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.