MMsINC Database Search


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MMsINC code: MMs02717526

Type: Neutral
Formula: C₂₂H₂₄N₄O₂

SMILES:

O(C)c1cc2c(nc(nc2N)N2CCC(=CC2)c2ccc(cc2)C)cc1OC

InChI:

InChI=1/C22H24N4O2/c1-14-4-6-15(7-5-14)16-8-10-26(11-9-16)22-24-18-13-20(28-3)19(27-2)12-17(18)21(23)25-22/h4-8,12-13H,9-11H2,1-3H3,(H2,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.42 kcal/mol

Physical Properties
Molecular Weight: 376.46 g/mol	logS: -5.58446	SlogP: 3.83132	Reactive groups: 0

Topological Properties
Globularity: 0.0283843	Sterimol/B1: 3.56316	Sterimol/B2: 3.65905	Sterimol/B3: 5.55781
Sterimol/B4: 5.73246	Sterimol/L: 21.0616

Surface and Volume Properties
Accessible surface: 672.605	Positive charged surface: 503.81	Negative charged surface: 164.439	Volume: 369.75
Hydrophobic surface: 541.243	Hydrophilic surface: 131.362

Pharmacophoric Properties
Hydrogen bond donors: 1	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.