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MMsINC code: MMs00331964

Type: Neutral
Formula: C₂₃H₂₆N₄O₂

SMILES:

O(C)c1cc(N2CCN(CC2)C=2NC(=O)C(Cc3ccccc3)=C(N=2)C)ccc1

InChI:

InChI=1/C23H26N4O2/c1-17-21(15-18-7-4-3-5-8-18)22(28)25-23(24-17)27-13-11-26(12-14-27)19-9-6-10-20(16-19)29-2/h3-10,16H,11-15H2,1-2H3,(H,24,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.636 kcal/mol

Physical Properties
Molecular Weight: 390.487 g/mol	logS: -4.46792	SlogP: 2.81967	Reactive groups: 0

Topological Properties
Globularity: 0.102066	Sterimol/B1: 2.3638	Sterimol/B2: 2.7196	Sterimol/B3: 6.10572
Sterimol/B4: 7.55968	Sterimol/L: 18.6894

Surface and Volume Properties
Accessible surface: 673.176	Positive charged surface: 470.601	Negative charged surface: 202.575	Volume: 386.75
Hydrophobic surface: 574.714	Hydrophilic surface: 98.462

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.