MMsINC Database Search


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MMsINC code: MMs01694699

Type: Neutral
Formula: C₂₄H₂₀N₄O

SMILES:

O(C)c1ccc(cc1)-c1nn(cc1-c1nc2c(n1C)cccc2)-c1ccccc1

InChI:

InChI=1/C24H20N4O/c1-27-22-11-7-6-10-21(22)25-24(27)20-16-28(18-8-4-3-5-9-18)26-23(20)17-12-14-19(29-2)15-13-17/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.726 kcal/mol

Physical Properties
Molecular Weight: 380.451 g/mol	logS: -6.98372	SlogP: 5.4608	Reactive groups: 0

Topological Properties
Globularity: 0.0536344	Sterimol/B1: 2.44363	Sterimol/B2: 3.67555	Sterimol/B3: 5.20333
Sterimol/B4: 9.4572	Sterimol/L: 16.7132

Surface and Volume Properties
Accessible surface: 666.926	Positive charged surface: 400.022	Negative charged surface: 266.904	Volume: 376.75
Hydrophobic surface: 616.885	Hydrophilic surface: 50.041

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.