MMsINC Database Search


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MMsINC code: MMs00257121

Type: Neutral
Formula: C₁₉H₂₄N₂O₅

SMILES:

O(C(=O)c1cnc2c(cc(cc2)C(OC)=O)c1NCCCCCO)CC

InChI:

InChI=1/C19H24N2O5/c1-3-26-19(24)15-12-21-16-8-7-13(18(23)25-2)11-14(16)17(15)20-9-5-4-6-10-22/h7-8,11-12,22H,3-6,9-10H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.343 kcal/mol

Physical Properties
Molecular Weight: 360.41 g/mol	logS: -3.26332	SlogP: 2.7726	Reactive groups: 0

Topological Properties
Globularity: 0.0478026	Sterimol/B1: 2.75202	Sterimol/B2: 2.89342	Sterimol/B3: 3.0769
Sterimol/B4: 12.3849	Sterimol/L: 17.9816

Surface and Volume Properties
Accessible surface: 659.758	Positive charged surface: 503.234	Negative charged surface: 152.763	Volume: 349.125
Hydrophobic surface: 483.574	Hydrophilic surface: 176.184

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.