MMsINC Database Search


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MMsINC code: MMs03358041

Type: Neutral
Formula: C₁₆H₂₄N₂O₄

SMILES:

O(C)c1c(OC)cc(NC(=O)NC2CCCCC2)cc1OC

InChI:

InChI=1/C16H24N2O4/c1-20-13-9-12(10-14(21-2)15(13)22-3)18-16(19)17-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7365 kcal/mol

Physical Properties
Molecular Weight: 308.378 g/mol	logS: -3.05047	SlogP: 3.1666	Reactive groups: 0

Topological Properties
Globularity: 0.0528631	Sterimol/B1: 2.09436	Sterimol/B2: 3.63914	Sterimol/B3: 4.16769
Sterimol/B4: 9.29305	Sterimol/L: 17.0638

Surface and Volume Properties
Accessible surface: 580.339	Positive charged surface: 493.152	Negative charged surface: 87.1871	Volume: 302.125
Hydrophobic surface: 506.739	Hydrophilic surface: 73.6

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.