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MMsINC code: MMs01837075

Type: Neutral
Formula: C₂₃H₂₈N₄O₃

SMILES:

O1CCN(CC1)CCc1nc2cc(NC(=O)COc3ccc(cc3)C)ccc2n1C

InChI:

InChI=1/C23H28N4O3/c1-17-3-6-19(7-4-17)30-16-23(28)24-18-5-8-21-20(15-18)25-22(26(21)2)9-10-27-11-13-29-14-12-27/h3-8,15H,9-14,16H2,1-2H3,(H,24,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.083 kcal/mol

Physical Properties
Molecular Weight: 408.502 g/mol	logS: -4.27554	SlogP: 3.13309	Reactive groups: 0

Topological Properties
Globularity: 0.0202831	Sterimol/B1: 3.15181	Sterimol/B2: 3.30932	Sterimol/B3: 3.57456
Sterimol/B4: 7.71294	Sterimol/L: 22.9922

Surface and Volume Properties
Accessible surface: 747.856	Positive charged surface: 539.401	Negative charged surface: 208.455	Volume: 403.5
Hydrophobic surface: 653.177	Hydrophilic surface: 94.679

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs01837076
IBS-ZINC02340235