MMsINC Database Search


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MMsINC code: MMs02488171

Type: Neutral
Formula: C₂₃H₂₁NO₂

SMILES:

OC1(c2c(CCc3c1cccc3)cccc2)c1ccccc1C(=O)NC

InChI:

InChI=1/C23H21NO2/c1-24-22(25)18-10-4-7-13-21(18)23(26)19-11-5-2-8-16(19)14-15-17-9-3-6-12-20(17)23/h2-13,26H,14-15H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=225.726 kcal/mol

Physical Properties
Molecular Weight: 343.426 g/mol	logS: -5.68363	SlogP: 3.74044	Reactive groups: 0

Topological Properties
Globularity: 0.505975	Sterimol/B1: 2.33523	Sterimol/B2: 5.07544	Sterimol/B3: 6.42096
Sterimol/B4: 7.11764	Sterimol/L: 12.3708

Surface and Volume Properties
Accessible surface: 533.554	Positive charged surface: 333.591	Negative charged surface: 199.963	Volume: 334
Hydrophobic surface: 491.929	Hydrophilic surface: 41.625

Pharmacophoric Properties
Hydrogen bond donors: 2	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.