MMsINC Database Search


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MMsINC code: MMs01070955

Type: Neutral
Formula: C₂₄H₂₄N₄O

SMILES:

O=C(Nc1cccc(C)c1C)c1c(nn(c1-n1cccc1)-c1cc(ccc1)C)C

InChI:

InChI=1/C24H24N4O/c1-16-9-7-11-20(15-16)28-24(27-13-5-6-14-27)22(19(4)26-28)23(29)25-21-12-8-10-17(2)18(21)3/h5-15H,1-4H3,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.745 kcal/mol

Physical Properties
Molecular Weight: 384.483 g/mol	logS: -5.40283	SlogP: 5.14898	Reactive groups: 0

Topological Properties
Globularity: 0.085621	Sterimol/B1: 2.76223	Sterimol/B2: 3.71007	Sterimol/B3: 5.75327
Sterimol/B4: 7.79641	Sterimol/L: 18.2186

Surface and Volume Properties
Accessible surface: 670.829	Positive charged surface: 381.504	Negative charged surface: 289.326	Volume: 389.625
Hydrophobic surface: 614.879	Hydrophilic surface: 55.95

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.