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MMsINC code: MMs01816332

Type: Neutral
Formula: C₂₃H₂₉NO₂

SMILES:

O(C(C)C)c1ccc(cc1)C(CC(=O)N1CCCC1)c1ccc(cc1)C

InChI:

InChI=1/C23H29NO2/c1-17(2)26-21-12-10-20(11-13-21)22(19-8-6-18(3)7-9-19)16-23(25)24-14-4-5-15-24/h6-13,17,22H,4-5,14-16H2,1-3H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0651 kcal/mol

Physical Properties
Molecular Weight: 351.49 g/mol	logS: -4.74197	SlogP: 4.92662	Reactive groups: 0

Topological Properties
Globularity: 0.128188	Sterimol/B1: 2.17699	Sterimol/B2: 3.53889	Sterimol/B3: 4.54515
Sterimol/B4: 13.4504	Sterimol/L: 14.5351

Surface and Volume Properties
Accessible surface: 663.186	Positive charged surface: 466.532	Negative charged surface: 196.654	Volume: 372.125
Hydrophobic surface: 596.642	Hydrophilic surface: 66.544

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.