MMsINC Database Search


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MMsINC code: MMs00990497

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

Oc1cc2c(n(c(C)c2C(=O)c2ccccc2)-c2cc(ccc2)C)cc1

InChI:

InChI=1/C23H19NO2/c1-15-7-6-10-18(13-15)24-16(2)22(20-14-19(25)11-12-21(20)24)23(26)17-8-4-3-5-9-17/h3-14,25H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.925 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -5.89082	SlogP: 5.18394	Reactive groups: 0

Topological Properties
Globularity: 0.179159	Sterimol/B1: 2.39741	Sterimol/B2: 2.93982	Sterimol/B3: 6.24986
Sterimol/B4: 8.14512	Sterimol/L: 15.3349

Surface and Volume Properties
Accessible surface: 610.1	Positive charged surface: 331.975	Negative charged surface: 275.071	Volume: 341.875
Hydrophobic surface: 527.999	Hydrophilic surface: 82.101

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

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Ions/Tautomers related molecules: no related molecules available.