MMsINC Database Search


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MMsINC code: MMs01058998

Type: Neutral
Formula: C₂₄H₂₄N₄O

SMILES:

O=C(Nc1ccc(cc1C)C)Cc1ccc(-n2c3ncccc3nc2CC)cc1

InChI:

InChI=1/C24H24N4O/c1-4-22-26-21-6-5-13-25-24(21)28(22)19-10-8-18(9-11-19)15-23(29)27-20-12-7-16(2)14-17(20)3/h5-14H,4,15H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.923 kcal/mol

Physical Properties
Molecular Weight: 384.483 g/mol	logS: -6.36128	SlogP: 4.78088	Reactive groups: 0

Topological Properties
Globularity: 0.0317725	Sterimol/B1: 2.56333	Sterimol/B2: 3.24025	Sterimol/B3: 4.16204
Sterimol/B4: 9.08265	Sterimol/L: 18.7958

Surface and Volume Properties
Accessible surface: 693.383	Positive charged surface: 465.444	Negative charged surface: 227.939	Volume: 387.25
Hydrophobic surface: 611.527	Hydrophilic surface: 81.856

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.