MMsINC Database Search


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MMsINC code: MMs01071489

Type: Neutral
Formula: C₂₄H₂₄N₄O₂

SMILES:

O=C1N(N(c2ncccc12)CC(=O)Nc1cc(ccc1)CC)c1cc(C)c(cc1)C

InChI:

InChI=1/C24H24N4O2/c1-4-18-7-5-8-19(14-18)26-22(29)15-27-23-21(9-6-12-25-23)24(30)28(27)20-11-10-16(2)17(3)13-20/h5-14H,4,15H2,1-3H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.319 kcal/mol

Physical Properties
Molecular Weight: 400.482 g/mol	logS: -6.18664	SlogP: 4.28131	Reactive groups: 0

Topological Properties
Globularity: 0.116025	Sterimol/B1: 3.40358	Sterimol/B2: 4.98874	Sterimol/B3: 6.51621
Sterimol/B4: 8.04974	Sterimol/L: 15.8823

Surface and Volume Properties
Accessible surface: 702.966	Positive charged surface: 447.229	Negative charged surface: 255.737	Volume: 393.25
Hydrophobic surface: 590.809	Hydrophilic surface: 112.157

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.