MMsINC Database Search


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MMsINC code: MMs01506481

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C(=O)C(O)(c1ccccc1)c1ccccc1)CC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C24H23NO4/c1-18(19-11-5-2-6-12-19)25-22(26)17-29-23(27)24(28,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,28H,17H2,1H3,(H,25,26)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.353 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.59965	SlogP: 3.7501	Reactive groups: 0

Topological Properties
Globularity: 0.0923346	Sterimol/B1: 2.13223	Sterimol/B2: 3.56885	Sterimol/B3: 6.28435
Sterimol/B4: 7.82218	Sterimol/L: 18.4282

Surface and Volume Properties
Accessible surface: 695.659	Positive charged surface: 394.279	Negative charged surface: 301.38	Volume: 381.75
Hydrophobic surface: 589.061	Hydrophilic surface: 106.598

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.