MMsINC Database Search


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MMsINC code: MMs01081641

Type: Neutral
Formula: C₂₃H₂₅NO₂

SMILES:

O(C(=O)c1cc(nc2c1cc(cc2)C)-c1ccccc1)CCCCCC

InChI:

InChI=1/C23H25NO2/c1-3-4-5-9-14-26-23(25)20-16-22(18-10-7-6-8-11-18)24-21-13-12-17(2)15-19(20)21/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.8332 kcal/mol

Physical Properties
Molecular Weight: 347.458 g/mol	logS: -7.29889	SlogP: 5.94732	Reactive groups: 0

Topological Properties
Globularity: 0.0106358	Sterimol/B1: 2.42808	Sterimol/B2: 2.61797	Sterimol/B3: 7.33405
Sterimol/B4: 7.7889	Sterimol/L: 18.3273

Surface and Volume Properties
Accessible surface: 677.599	Positive charged surface: 433.26	Negative charged surface: 233.304	Volume: 365.25
Hydrophobic surface: 605.539	Hydrophilic surface: 72.06

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.