MMsINC Database Search


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MMsINC code: MMs02000858

Type: Neutral
Formula: C₂₃H₂₁NO₂

SMILES:

O(Cc1ccccc1)c1c2c(ccc1)C(=O)N(CC2)Cc1ccccc1

InChI:

InChI=1/C23H21NO2/c25-23-21-12-7-13-22(26-17-19-10-5-2-6-11-19)20(21)14-15-24(23)16-18-8-3-1-4-9-18/h1-13H,14-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6846 kcal/mol

Physical Properties
Molecular Weight: 343.426 g/mol	logS: -5.19507	SlogP: 4.99687	Reactive groups: 0

Topological Properties
Globularity: 0.0684877	Sterimol/B1: 2.2974	Sterimol/B2: 3.47448	Sterimol/B3: 5.18791
Sterimol/B4: 7.2287	Sterimol/L: 17.694

Surface and Volume Properties
Accessible surface: 627.553	Positive charged surface: 378.672	Negative charged surface: 248.881	Volume: 347.5
Hydrophobic surface: 589.726	Hydrophilic surface: 37.827

Pharmacophoric Properties
Hydrogen bond donors: 0	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.