MMsINC Database Search


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MMsINC code: MMs01310973

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C)c1ccc(cc1NC(=O)COC(=O)Cc1ccc(cc1)-c1ccccc1)C

InChI:

InChI=1/C24H23NO4/c1-17-8-13-22(28-2)21(14-17)25-23(26)16-29-24(27)15-18-9-11-20(12-10-18)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.764 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.77519	SlogP: 4.39499	Reactive groups: 1

Topological Properties
Globularity: 0.0261998	Sterimol/B1: 2.0633	Sterimol/B2: 3.91873	Sterimol/B3: 3.92744
Sterimol/B4: 8.9093	Sterimol/L: 22.5776

Surface and Volume Properties
Accessible surface: 715.807	Positive charged surface: 445.418	Negative charged surface: 258.738	Volume: 381.625
Hydrophobic surface: 632.93	Hydrophilic surface: 82.877

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.