MMsINC Database Search


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MMsINC code: MMs02984726

Type: Neutral
Formula: C₁₆H₂₄N₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NCCC(=O)NC(C)C

InChI:

InChI=1/C16H24N2O5/c1-10(2)18-14(19)6-7-17-16(20)11-8-12(21-3)15(23-5)13(9-11)22-4/h8-10H,6-7H2,1-5H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0613 kcal/mol

Physical Properties
Molecular Weight: 324.377 g/mol	logS: -2.39106	SlogP: 1.3569	Reactive groups: 0

Topological Properties
Globularity: 0.0261299	Sterimol/B1: 2.5177	Sterimol/B2: 4.11757	Sterimol/B3: 5.30127
Sterimol/B4: 5.81129	Sterimol/L: 18.9934

Surface and Volume Properties
Accessible surface: 630.767	Positive charged surface: 501.166	Negative charged surface: 129.601	Volume: 316.75
Hydrophobic surface: 483.543	Hydrophilic surface: 147.224

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.