MMsINC Database Search


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MMsINC code: MMs02610199

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O1CCOC12CCN(CC2)c1nc(nc(c1)-c1cc(cnc1)-c1ccc(cc1)C)C

InChI:

InChI=1/C24H26N4O2/c1-17-3-5-19(6-4-17)20-13-21(16-25-15-20)22-14-23(27-18(2)26-22)28-9-7-24(8-10-28)29-11-12-30-24/h3-6,13-16H,7-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.809 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -5.5985	SlogP: 4.16574	Reactive groups: 0

Topological Properties
Globularity: 0.0239631	Sterimol/B1: 3.47687	Sterimol/B2: 4.22444	Sterimol/B3: 5.06741
Sterimol/B4: 5.4814	Sterimol/L: 21.818

Surface and Volume Properties
Accessible surface: 705.681	Positive charged surface: 495.27	Negative charged surface: 194.48	Volume: 395.75
Hydrophobic surface: 633.046	Hydrophilic surface: 72.635

Pharmacophoric Properties
Hydrogen bond donors: 0	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.