MMsINC Database Search


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MMsINC code: MMs01848866

Type: Neutral
Formula: C₂₃H₂₄N₄O₂

SMILES:

O(C(=O)c1c2nc3c(nc2n(CCC(C)C)c1N)cccc3)Cc1ccccc1

InChI:

InChI=1/C23H24N4O2/c1-15(2)12-13-27-21(24)19(23(28)29-14-16-8-4-3-5-9-16)20-22(27)26-18-11-7-6-10-17(18)25-20/h3-11,15H,12-14,24H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.217 kcal/mol

Physical Properties
Molecular Weight: 388.471 g/mol	logS: -6.2876	SlogP: 5.1026	Reactive groups: 0

Topological Properties
Globularity: 0.115143	Sterimol/B1: 2.12471	Sterimol/B2: 2.51028	Sterimol/B3: 6.40984
Sterimol/B4: 11.8	Sterimol/L: 16.5681

Surface and Volume Properties
Accessible surface: 707.829	Positive charged surface: 432.876	Negative charged surface: 274.953	Volume: 382
Hydrophobic surface: 544.893	Hydrophilic surface: 162.936

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.