MMsINC Database Search


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MMsINC code: MMs01401993

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)CCc1ccccc1)CC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23NO3/c26-22(18-28-23(27)17-16-19-10-4-1-5-11-19)25-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,24H,16-18H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5627 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.41837	SlogP: 4.16367	Reactive groups: 1

Topological Properties
Globularity: 0.0532126	Sterimol/B1: 3.09801	Sterimol/B2: 4.60428	Sterimol/B3: 5.18655
Sterimol/B4: 6.01575	Sterimol/L: 20.2719

Surface and Volume Properties
Accessible surface: 696.733	Positive charged surface: 403.357	Negative charged surface: 293.377	Volume: 377
Hydrophobic surface: 620.793	Hydrophilic surface: 75.94

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.