MMsINC Database Search


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MMsINC code: MMs01178883

Type: Neutral
Formula: C₂₃H₂₁NO₃

SMILES:

O1c2cc(ccc2OC1)CC(=O)N(Cc1ccccc1)c1ccccc1C

InChI:

InChI=1/C23H21NO3/c1-17-7-5-6-10-20(17)24(15-18-8-3-2-4-9-18)23(25)14-19-11-12-21-22(13-19)27-16-26-21/h2-13H,14-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.585 kcal/mol

Physical Properties
Molecular Weight: 359.425 g/mol	logS: -5.19382	SlogP: 4.76599	Reactive groups: 0

Topological Properties
Globularity: 0.124548	Sterimol/B1: 2.31507	Sterimol/B2: 5.63305	Sterimol/B3: 6.22216
Sterimol/B4: 6.24738	Sterimol/L: 16.1689

Surface and Volume Properties
Accessible surface: 604.914	Positive charged surface: 379.546	Negative charged surface: 225.368	Volume: 353.875
Hydrophobic surface: 526.809	Hydrophilic surface: 78.105

Pharmacophoric Properties
Hydrogen bond donors: 0	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.