MMsINC Database Search


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MMsINC code: MMs01071515

Type: Neutral
Formula: C₂₄H₂₄N₄O₂

SMILES:

O=C1N(N(c2ncccc12)CC(=O)Nc1ccccc1CC)c1cc(ccc1)CC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.028 kcal/mol

Physical Properties
Molecular Weight: 400.482 g/mol	logS: -5.91449	SlogP: 4.22684	Reactive groups: 0

Topological Properties
Globularity: 0.191524	Sterimol/B1: 2.66035	Sterimol/B2: 4.32073	Sterimol/B3: 5.67187
Sterimol/B4: 11.0474	Sterimol/L: 15.3446

Surface and Volume Properties
Accessible surface: 693.45	Positive charged surface: 436.92	Negative charged surface: 256.53	Volume: 395
Hydrophobic surface: 575.505	Hydrophilic surface: 117.945

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.