MMsINC Database Search


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MMsINC code: MMs02908019

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(CC(=O)c1cc(n(c1C)-c1cc(C)c(cc1)C)C)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C24H26N2O3/c1-15-9-10-21(11-16(15)2)26-17(3)12-23(18(26)4)24(28)14-29-22-8-6-7-20(13-22)25-19(5)27/h6-13H,14H2,1-5H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.323 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.47967	SlogP: 4.93108	Reactive groups: 0

Topological Properties
Globularity: 0.0248273	Sterimol/B1: 3.25256	Sterimol/B2: 3.34154	Sterimol/B3: 4.385
Sterimol/B4: 5.83249	Sterimol/L: 22.9186

Surface and Volume Properties
Accessible surface: 709.477	Positive charged surface: 428.171	Negative charged surface: 281.306	Volume: 393.25
Hydrophobic surface: 612.654	Hydrophilic surface: 96.823

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.