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MMsINC code: MMs01888273

Type: Ionized
Formula: C₂₄H₃₂N₄O₂+2

SMILES:

O=C(N1CC[NH+](CC1)Cc1ccccc1)C(=O)N1CC[NH+](CC1)Cc1ccccc1

InChI:

InChI=1/C24H30N4O2/c29-23(27-15-11-25(12-16-27)19-21-7-3-1-4-8-21)24(30)28-17-13-26(14-18-28)20-22-9-5-2-6-10-22/h1-10H,11-20H2/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.149 kcal/mol

Physical Properties
Molecular Weight: 408.546 g/mol	logS: -3.30418	SlogP: -0.6262	Reactive groups: 0

Topological Properties
Globularity: 0.10489	Sterimol/B1: 2.73185	Sterimol/B2: 3.08308	Sterimol/B3: 6.04812
Sterimol/B4: 7.94419	Sterimol/L: 19.405

Surface and Volume Properties
Accessible surface: 725.239	Positive charged surface: 517.777	Negative charged surface: 207.463	Volume: 423.75
Hydrophobic surface: 623.112	Hydrophilic surface: 102.127

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 2
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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Parent related molecule:

MMs01888272
IBS-ZINC04673018