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MMsINC code: MMs03357942

Type: Neutral
Formula: C₂₄H₂₀N₄O₂

SMILES:

O(C(=O)C(n1cc2c(cccc2)c1-n1nnc2c1cccc2)Cc1ccccc1)C

InChI:

InChI=1/C24H20N4O2/c1-30-24(29)22(15-17-9-3-2-4-10-17)27-16-18-11-5-6-12-19(18)23(27)28-21-14-8-7-13-20(21)25-26-28/h2-14,16,22H,15H2,1H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.78 kcal/mol

Physical Properties
Molecular Weight: 396.45 g/mol	logS: -5.63844	SlogP: 4.42747	Reactive groups: 0

Topological Properties
Globularity: 0.168107	Sterimol/B1: 2.47152	Sterimol/B2: 3.51777	Sterimol/B3: 6.38553
Sterimol/B4: 8.86621	Sterimol/L: 14.903

Surface and Volume Properties
Accessible surface: 662.19	Positive charged surface: 373.485	Negative charged surface: 278.628	Volume: 380.625
Hydrophobic surface: 589.636	Hydrophilic surface: 72.554

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.