MMsINC Database Search


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MMsINC code: MMs01361338

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

O(C)c1cc(ccc1)-c1cc2n(C=CC=C2)c1C(=O)c1cc(ccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3417 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -5.95223	SlogP: 5.20062	Reactive groups: 0

Topological Properties
Globularity: 0.174406	Sterimol/B1: 2.25108	Sterimol/B2: 4.04101	Sterimol/B3: 4.91836
Sterimol/B4: 11.0249	Sterimol/L: 14.9811

Surface and Volume Properties
Accessible surface: 610.016	Positive charged surface: 359.22	Negative charged surface: 250.796	Volume: 344.5
Hydrophobic surface: 574.843	Hydrophilic surface: 35.173

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.