MMsINC Database Search


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MMsINC code: MMs01389537

Type: Neutral
Formula: C₂₃H₁₉NO₄

SMILES:

O(CC(=O)Nc1ccc(cc1)C(=O)C)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C23H19NO4/c1-16(25)17-7-11-20(12-8-17)24-22(26)15-28-21-13-9-19(10-14-21)23(27)18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.373 kcal/mol

Physical Properties
Molecular Weight: 373.408 g/mol	logS: -5.81677	SlogP: 4.1377	Reactive groups: 0

Topological Properties
Globularity: 0.00756237	Sterimol/B1: 2.39544	Sterimol/B2: 3.01391	Sterimol/B3: 4.07172
Sterimol/B4: 4.68014	Sterimol/L: 23.1868

Surface and Volume Properties
Accessible surface: 666.467	Positive charged surface: 366.063	Negative charged surface: 300.404	Volume: 359.125
Hydrophobic surface: 534.046	Hydrophilic surface: 132.421

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.