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MMsINC code: MMs02814096

Type: Neutral
Formula: C₁₄H₂₄N₂O₅

SMILES:

OC(=O)C(NC(=O)C(CC1CCCCC1)CC(=O)NO)C

InChI:

InChI=1/C14H24N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h9-11,21H,2-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8497 kcal/mol

Physical Properties
Molecular Weight: 300.355 g/mol	logS: -3.123	SlogP: 1.0578	Reactive groups: 0

Topological Properties
Globularity: 0.152859	Sterimol/B1: 2.5113	Sterimol/B2: 3.53999	Sterimol/B3: 5.27025
Sterimol/B4: 9.075	Sterimol/L: 13.2942

Surface and Volume Properties
Accessible surface: 555.355	Positive charged surface: 388.913	Negative charged surface: 166.442	Volume: 284.875
Hydrophobic surface: 303.36	Hydrophilic surface: 251.995

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02814098
PUBCHEM-ZINC01543308