MMsINC Database Search


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MMsINC code: MMs01814562

Type: Neutral
Formula: C₂₄H₂₀N₄O

SMILES:

O(C)c1ccc(cc1)-c1nc2nc3c(nc2n1-c1ccc(cc1)CC)cccc3

InChI:

InChI=1/C24H20N4O/c1-3-16-8-12-18(13-9-16)28-23(17-10-14-19(29-2)15-11-17)27-22-24(28)26-21-7-5-4-6-20(21)25-22/h4-15H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.251 kcal/mol

Physical Properties
Molecular Weight: 380.451 g/mol	logS: -9.02095	SlogP: 5.20667	Reactive groups: 0

Topological Properties
Globularity: 0.0373258	Sterimol/B1: 2.432	Sterimol/B2: 3.10844	Sterimol/B3: 3.88859
Sterimol/B4: 10.5262	Sterimol/L: 17.7718

Surface and Volume Properties
Accessible surface: 655.665	Positive charged surface: 415.269	Negative charged surface: 240.395	Volume: 370.375
Hydrophobic surface: 558.182	Hydrophilic surface: 97.483

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: 0

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Ions/Tautomers related molecules: no related molecules available.