MMsINC Database Search


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MMsINC code: MMs02916936

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)N1CCCCCC1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C24H25NO2/c26-24(25-15-5-1-2-6-16-25)21-11-9-19(10-12-21)18-27-23-14-13-20-7-3-4-8-22(20)17-23/h3-4,7-14,17H,1-2,5-6,15-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.34 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -6.0771	SlogP: 5.7014	Reactive groups: 0

Topological Properties
Globularity: 0.0367676	Sterimol/B1: 3.57076	Sterimol/B2: 3.72033	Sterimol/B3: 3.76001
Sterimol/B4: 5.23119	Sterimol/L: 20.1422

Surface and Volume Properties
Accessible surface: 643.336	Positive charged surface: 399.859	Negative charged surface: 231.612	Volume: 365.375
Hydrophobic surface: 608.088	Hydrophilic surface: 35.248

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.