MMsINC Database Search


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MMsINC code: MMs00747598

Type: Neutral
Formula: C₂₃H₂₃NO

SMILES:

O(CCn1c2c(c3c1cccc3)cccc2)c1ccccc1C(C)C

InChI:

InChI=1/C23H23NO/c1-17(2)18-9-5-8-14-23(18)25-16-15-24-21-12-6-3-10-19(21)20-11-4-7-13-22(20)24/h3-14,17H,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3076 kcal/mol

Physical Properties
Molecular Weight: 329.443 g/mol	logS: -6.4511	SlogP: 6.2633	Reactive groups: 0

Topological Properties
Globularity: 0.123122	Sterimol/B1: 2.53404	Sterimol/B2: 4.7226	Sterimol/B3: 6.9408
Sterimol/B4: 7.20962	Sterimol/L: 15.0745

Surface and Volume Properties
Accessible surface: 628.157	Positive charged surface: 365.644	Negative charged surface: 250.301	Volume: 348.125
Hydrophobic surface: 586.934	Hydrophilic surface: 41.223

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.