MMsINC Database Search


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MMsINC code: MMs01082148

Type: Neutral
Formula: C₂₄H₁₉NO₂

SMILES:

OC(C(=O)Nc1c2c(ccc1)cccc2)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H19NO2/c26-23(25-22-17-9-11-18-10-7-8-16-21(18)22)24(27,19-12-3-1-4-13-19)20-14-5-2-6-15-20/h1-17,27H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.895 kcal/mol

Physical Properties
Molecular Weight: 353.421 g/mol	logS: -6.79811	SlogP: 5.0259	Reactive groups: 0

Topological Properties
Globularity: 0.124615	Sterimol/B1: 2.68108	Sterimol/B2: 4.03613	Sterimol/B3: 4.22399
Sterimol/B4: 8.83549	Sterimol/L: 15.4026

Surface and Volume Properties
Accessible surface: 608.684	Positive charged surface: 321.742	Negative charged surface: 275.923	Volume: 348.25
Hydrophobic surface: 572.812	Hydrophilic surface: 35.872

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.