MMsINC Database Search


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MMsINC code: MMs01982818

Type: Neutral
Formula: C₂₄H₁₉NO₂

SMILES:

O(C)c1cc2c(cc1C(=O)Nc1c3c4c(CCc4ccc3)cc1)cccc2

InChI:

InChI=1/C24H19NO2/c1-27-22-14-18-6-3-2-5-17(18)13-20(22)24(26)25-21-12-11-16-10-9-15-7-4-8-19(21)23(15)16/h2-8,11-14H,9-10H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.375 kcal/mol

Physical Properties
Molecular Weight: 353.421 g/mol	logS: -8.00681	SlogP: 5.35244	Reactive groups: 0

Topological Properties
Globularity: 0.0183534	Sterimol/B1: 2.3517	Sterimol/B2: 2.47514	Sterimol/B3: 3.56638
Sterimol/B4: 9.05504	Sterimol/L: 17.4342

Surface and Volume Properties
Accessible surface: 615.1	Positive charged surface: 372.154	Negative charged surface: 220.005	Volume: 344.125
Hydrophobic surface: 585.849	Hydrophilic surface: 29.251

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: 0

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Ions/Tautomers related molecules: no related molecules available.