MMsINC Database Search


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MMsINC code: MMs02610248

Type: Neutral
Formula: C₂₅H₂₄N₄O

SMILES:

O(C)c1ccc(cc1)-c1cc(cnc1)-c1nc(nc(N(Cc2ccccc2)C)c1)C

InChI:

InChI=1/C25H24N4O/c1-18-27-24(14-25(28-18)29(2)17-19-7-5-4-6-8-19)22-13-21(15-26-16-22)20-9-11-23(30-3)12-10-20/h4-16H,17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.761 kcal/mol

Physical Properties
Molecular Weight: 396.494 g/mol	logS: -5.9004	SlogP: 5.42542	Reactive groups: 0

Topological Properties
Globularity: 0.0504974	Sterimol/B1: 2.04604	Sterimol/B2: 2.20272	Sterimol/B3: 6.25924
Sterimol/B4: 8.24336	Sterimol/L: 20.4335

Surface and Volume Properties
Accessible surface: 701.959	Positive charged surface: 465.21	Negative charged surface: 220.537	Volume: 401.5
Hydrophobic surface: 637.19	Hydrophilic surface: 64.769

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

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Ions/Tautomers related molecules: no related molecules available.