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MMsINC code: MMs00195796

Type: Neutral
Formula: C₂₃H₂₉NO₂

SMILES:

O(CC(C)C)c1ccc(cc1)C(=O)NCC1(CCCC1)c1ccccc1

InChI:

InChI=1/C23H29NO2/c1-18(2)16-26-21-12-10-19(11-13-21)22(25)24-17-23(14-6-7-15-23)20-8-4-3-5-9-20/h3-5,8-13,18H,6-7,14-17H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5853 kcal/mol

Physical Properties
Molecular Weight: 351.49 g/mol	logS: -5.47345	SlogP: 4.9632	Reactive groups: 0

Topological Properties
Globularity: 0.0892621	Sterimol/B1: 3.8067	Sterimol/B2: 3.98722	Sterimol/B3: 5.21354
Sterimol/B4: 6.83786	Sterimol/L: 17.7614

Surface and Volume Properties
Accessible surface: 654.676	Positive charged surface: 430.04	Negative charged surface: 224.636	Volume: 371.75
Hydrophobic surface: 578.195	Hydrophilic surface: 76.481

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.