MMsINC Database Search


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MMsINC code: MMs00352633

Type: Neutral
Formula: C₂₀H₂₄N₂O₅

SMILES:

O(CCNC(OCc1ccccc1)=O)CCNC(OCc1ccccc1)=O

InChI:

InChI=1/C20H24N2O5/c23-19(26-15-17-7-3-1-4-8-17)21-11-13-25-14-12-22-20(24)27-16-18-9-5-2-6-10-18/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)=26.0989 kcal/mol

Physical Properties
Molecular Weight: 372.421 g/mol	logS: -3.76776	SlogP: 3.3886	Reactive groups: 0

Topological Properties
Globularity: 0.0740185	Sterimol/B1: 2.93785	Sterimol/B2: 2.94944	Sterimol/B3: 5.91703
Sterimol/B4: 8.2766	Sterimol/L: 21.031

Surface and Volume Properties
Accessible surface: 736.729	Positive charged surface: 491.161	Negative charged surface: 245.568	Volume: 362.375
Hydrophobic surface: 601.14	Hydrophilic surface: 135.589

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.