MMsINC Database Search


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MMsINC code: MMs03900644

Type: Neutral
Formula: C₂₀H₂₄N₄O

SMILES:

o1c2c(ncnc2N2CCCCC2CC)c2cc3CCCCc3nc12

InChI:

InChI=1/C20H24N4O/c1-2-14-8-5-6-10-24(14)19-18-17(21-12-22-19)15-11-13-7-3-4-9-16(13)23-20(15)25-18/h11-12,14H,2-10H2,1H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.613 kcal/mol

Physical Properties
Molecular Weight: 336.439 g/mol	logS: -5.66552	SlogP: 4.41864	Reactive groups: 0

Topological Properties
Globularity: 0.093977	Sterimol/B1: 2.40595	Sterimol/B2: 3.04238	Sterimol/B3: 6.66595
Sterimol/B4: 6.8971	Sterimol/L: 16.631

Surface and Volume Properties
Accessible surface: 583.576	Positive charged surface: 446.346	Negative charged surface: 131.682	Volume: 333.375
Hydrophobic surface: 470.487	Hydrophilic surface: 113.089

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.