MMsINC Database Search


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MMsINC code: MMs02167408

Type: Neutral
Formula: C₂₃H₂₄N₄O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2)cc1

InChI:

InChI=1/C23H24N4O2/c28-23(27-16-14-26(15-17-27)22-8-4-5-13-24-22)25-20-9-11-21(12-10-20)29-18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.831 kcal/mol

Physical Properties
Molecular Weight: 388.471 g/mol	logS: -4.06419	SlogP: 4.2811	Reactive groups: 0

Topological Properties
Globularity: 0.0403451	Sterimol/B1: 2.81796	Sterimol/B2: 3.96039	Sterimol/B3: 4.6693
Sterimol/B4: 5.0098	Sterimol/L: 23.1348

Surface and Volume Properties
Accessible surface: 706.583	Positive charged surface: 470.511	Negative charged surface: 236.072	Volume: 381.875
Hydrophobic surface: 641.201	Hydrophilic surface: 65.382

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.