MMsINC Database Search


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MMsINC code: MMs01172263

Type: Neutral
Formula: C₂₄H₃₂N₄O₂

SMILES:

O(CCCC)c1ccc(cc1)C(=O)N1Cc2c(nc(nc2N2CCCCC2)C)CC1

InChI:

InChI=1/C24H32N4O2/c1-3-4-16-30-20-10-8-19(9-11-20)24(29)28-15-12-22-21(17-28)23(26-18(2)25-22)27-13-6-5-7-14-27/h8-11H,3-7,12-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.356 kcal/mol

Physical Properties
Molecular Weight: 408.546 g/mol	logS: -4.51226	SlogP: 4.41909	Reactive groups: 0

Topological Properties
Globularity: 0.104571	Sterimol/B1: 3.92828	Sterimol/B2: 5.03968	Sterimol/B3: 5.36953
Sterimol/B4: 7.10197	Sterimol/L: 19.1374

Surface and Volume Properties
Accessible surface: 725.399	Positive charged surface: 537.724	Negative charged surface: 187.674	Volume: 412.75
Hydrophobic surface: 631.95	Hydrophilic surface: 93.449

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.