MMsINC Database Search


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MMsINC code: MMs01782293

Type: Neutral
Formula: C₁₈H₂₄N₂O₅

SMILES:

O(C)c1cc2c(NC(=O)C(C(=O)NCCCCCC)=C2O)cc1OC

InChI:

InChI=1/C18H24N2O5/c1-4-5-6-7-8-19-17(22)15-16(21)11-9-13(24-2)14(25-3)10-12(11)20-18(15)23/h9-10H,4-8H2,1-3H3,(H,19,22)(H2,20,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9982 kcal/mol

Physical Properties
Molecular Weight: 348.399 g/mol	logS: -4.24683	SlogP: 2.6215	Reactive groups: 0

Topological Properties
Globularity: 0.0401477	Sterimol/B1: 2.35927	Sterimol/B2: 5.20377	Sterimol/B3: 5.65411
Sterimol/B4: 5.73358	Sterimol/L: 20.9797

Surface and Volume Properties
Accessible surface: 650.845	Positive charged surface: 493.444	Negative charged surface: 157.401	Volume: 333.75
Hydrophobic surface: 468.969	Hydrophilic surface: 181.876

Pharmacophoric Properties
Hydrogen bond donors: 3	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.