MMsINC Database Search


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MMsINC code: MMs01189588

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O1CCN(CC1)c1ncc(cc1)C(=O)N(Cc1cccnc1)CCc1ccccc1

InChI:

InChI=1/C24H26N4O2/c29-24(22-8-9-23(26-18-22)27-13-15-30-16-14-27)28(19-21-7-4-11-25-17-21)12-10-20-5-2-1-3-6-20/h1-9,11,17-18H,10,12-16,19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=215.852 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -3.03616	SlogP: 3.46467	Reactive groups: 0

Topological Properties
Globularity: 0.0854741	Sterimol/B1: 2.32702	Sterimol/B2: 3.44358	Sterimol/B3: 4.43636
Sterimol/B4: 10.7841	Sterimol/L: 16.0406

Surface and Volume Properties
Accessible surface: 657.754	Positive charged surface: 466.399	Negative charged surface: 191.355	Volume: 397.375
Hydrophobic surface: 581.098	Hydrophilic surface: 76.656

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.