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MMsINC code: MMs00616042

Type: Neutral
Formula: C₂₁H₂₉NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)NCC12CC3(CC(C1)(CC(C2)C3)C)C

InChI:

InChI=1/C21H29NO2/c1-19-8-15-9-20(2,11-19)13-21(10-15,12-19)14-22-18(23)16-4-6-17(24-3)7-5-16/h4-7,15H,8-14H2,1-3H3,(H,22,23)/t15-,19+,20-,21-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6236 kcal/mol

Physical Properties
Molecular Weight: 327.468 g/mol	logS: -6.32955	SlogP: 4.4216	Reactive groups: 0

Topological Properties
Globularity: 0.0827633	Sterimol/B1: 2.22607	Sterimol/B2: 2.49615	Sterimol/B3: 5.92267
Sterimol/B4: 7.41017	Sterimol/L: 17.219

Surface and Volume Properties
Accessible surface: 584.39	Positive charged surface: 420.236	Negative charged surface: 164.154	Volume: 337.375
Hydrophobic surface: 499.784	Hydrophilic surface: 84.606

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

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.