MMsINC Database Search


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MMsINC code: MMs02970786

Type: Neutral
Formula: C₂₃H₂₄N₄O₂

SMILES:

O(C(OC)CNc1ncnc2n(cc(c12)-c1ccccc1)-c1cc(ccc1)C)C

InChI:

InChI=1/C23H24N4O2/c1-16-8-7-11-18(12-16)27-14-19(17-9-5-4-6-10-17)21-22(25-15-26-23(21)27)24-13-20(28-2)29-3/h4-12,14-15,20H,13H2,1-3H3,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.788 kcal/mol

Physical Properties
Molecular Weight: 388.471 g/mol	logS: -6.7066	SlogP: 4.42672	Reactive groups: 0

Topological Properties
Globularity: 0.0670348	Sterimol/B1: 2.64512	Sterimol/B2: 4.52929	Sterimol/B3: 5.27931
Sterimol/B4: 7.21901	Sterimol/L: 17.466

Surface and Volume Properties
Accessible surface: 662.192	Positive charged surface: 473.042	Negative charged surface: 184.609	Volume: 386.25
Hydrophobic surface: 583.402	Hydrophilic surface: 78.79

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.