MMsINC Database Search


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MMsINC code: MMs02619817

Type: Neutral
Formula: C₂₀H₂₆N₂O₄

SMILES:

O(C)c1cc2NC(=O)C(=Cc2cc1)CN(C(=O)COC)C1CCCCC1

InChI:

InChI=1/C20H26N2O4/c1-25-13-19(23)22(16-6-4-3-5-7-16)12-15-10-14-8-9-17(26-2)11-18(14)21-20(15)24/h8-11,16H,3-7,12-13H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.975 kcal/mol

Physical Properties
Molecular Weight: 358.438 g/mol	logS: -3.95552	SlogP: 2.8384	Reactive groups: 0

Topological Properties
Globularity: 0.118895	Sterimol/B1: 2.40467	Sterimol/B2: 2.45516	Sterimol/B3: 6.13277
Sterimol/B4: 7.71881	Sterimol/L: 16.7689

Surface and Volume Properties
Accessible surface: 610.635	Positive charged surface: 464.276	Negative charged surface: 146.359	Volume: 348.75
Hydrophobic surface: 506.214	Hydrophilic surface: 104.421

Pharmacophoric Properties
Hydrogen bond donors: 1	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.