MMsINC Database Search


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MMsINC code: MMs02961325

Type: Neutral
Formula: C₂₃H₃₀N₂O₂

SMILES:

O=C(C)c1cc(n(CCC(=O)NC2CCC(CC2)C)c1C)-c1ccccc1

InChI:

InChI=1/C23H30N2O2/c1-16-9-11-20(12-10-16)24-23(27)13-14-25-17(2)21(18(3)26)15-22(25)19-7-5-4-6-8-19/h4-8,15-16,20H,9-14H2,1-3H3,(H,24,27)/t16-,20+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9108 kcal/mol

Physical Properties
Molecular Weight: 366.505 g/mol	logS: -4.7838	SlogP: 5.01752	Reactive groups: 0

Topological Properties
Globularity: 0.096626	Sterimol/B1: 2.01783	Sterimol/B2: 3.29551	Sterimol/B3: 5.13942
Sterimol/B4: 10.0178	Sterimol/L: 16.8268

Surface and Volume Properties
Accessible surface: 650.599	Positive charged surface: 416.834	Negative charged surface: 233.765	Volume: 382.375
Hydrophobic surface: 556.929	Hydrophilic surface: 93.67

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.