MMsINC Database Search


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MMsINC code: MMs00648175

Type: Neutral
Formula: C₂₄H₁₉NO₂

SMILES:

O(C)c1c2c(cccc2)c(NC(=O)c2ccc(cc2)-c2ccccc2)cc1

InChI:

InChI=1/C24H19NO2/c1-27-23-16-15-22(20-9-5-6-10-21(20)23)25-24(26)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.647 kcal/mol

Physical Properties
Molecular Weight: 353.421 g/mol	logS: -7.70951	SlogP: 5.7677	Reactive groups: 0

Topological Properties
Globularity: 0.00885906	Sterimol/B1: 2.10563	Sterimol/B2: 2.44001	Sterimol/B3: 3.06124
Sterimol/B4: 8.00014	Sterimol/L: 20.2296

Surface and Volume Properties
Accessible surface: 628.859	Positive charged surface: 340.345	Negative charged surface: 265.697	Volume: 352
Hydrophobic surface: 594.734	Hydrophilic surface: 34.125

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.