MMsINC Database Search


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MMsINC code: MMs01616183

Type: Neutral
Formula: C₂₃H₂₃NO₄

SMILES:

O(C)c1c(OC)c(OC)ccc1C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H23NO4/c1-26-19-15-14-18(21(27-2)22(19)28-3)23(25)24-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,20H,1-3H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.009 kcal/mol

Physical Properties
Molecular Weight: 377.44 g/mol	logS: -5.21795	SlogP: 4.3273	Reactive groups: 0

Topological Properties
Globularity: 0.176826	Sterimol/B1: 2.59079	Sterimol/B2: 4.16403	Sterimol/B3: 5.91206
Sterimol/B4: 8.33182	Sterimol/L: 15.2377

Surface and Volume Properties
Accessible surface: 668.534	Positive charged surface: 461.089	Negative charged surface: 207.445	Volume: 374
Hydrophobic surface: 634.147	Hydrophilic surface: 34.387

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.