MMsINC Database Search


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MMsINC code: MMs00917757

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(CCNC(=O)Cc1ccccc1)CCNC(=O)Cc1ccccc1

InChI:

InChI=1/C20H24N2O3/c23-19(15-17-7-3-1-4-8-17)21-11-13-25-14-12-22-20(24)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6833 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -3.73706	SlogP: 1.72074	Reactive groups: 0

Topological Properties
Globularity: 0.0326995	Sterimol/B1: 2.82314	Sterimol/B2: 2.92486	Sterimol/B3: 3.66649
Sterimol/B4: 8.08147	Sterimol/L: 20.4024

Surface and Volume Properties
Accessible surface: 685.175	Positive charged surface: 470.361	Negative charged surface: 214.814	Volume: 347.125
Hydrophobic surface: 600.864	Hydrophilic surface: 84.311

Pharmacophoric Properties
Hydrogen bond donors: 2	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.