MMsINC Database Search


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MMsINC code: MMs03107903

Type: Neutral
Formula: C₂₄H₂₄N₄O

SMILES:

O(C)c1ccccc1CNc1nc(nc2c1cccc2)-c1ccc(N(C)C)cc1

InChI:

InChI=1/C24H24N4O/c1-28(2)19-14-12-17(13-15-19)23-26-21-10-6-5-9-20(21)24(27-23)25-16-18-8-4-7-11-22(18)29-3/h4-15H,16H2,1-3H3,(H,25,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.995 kcal/mol

Physical Properties
Molecular Weight: 384.483 g/mol	logS: -6.67349	SlogP: 5.2499	Reactive groups: 0

Topological Properties
Globularity: 0.0721349	Sterimol/B1: 4.17265	Sterimol/B2: 4.70106	Sterimol/B3: 4.96515
Sterimol/B4: 8.67882	Sterimol/L: 18.2844

Surface and Volume Properties
Accessible surface: 693.849	Positive charged surface: 479.31	Negative charged surface: 203.918	Volume: 387.375
Hydrophobic surface: 650.11	Hydrophilic surface: 43.739

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.