MMsINC Database Search


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MMsINC code: MMs02735744

Type: Neutral
Formula: C₂₃H₂₆N₂O₂

SMILES:

O(C)c1ccc(cc1)C1N(CCc2c1[nH]c1c2cccc1)C(=O)CC(C)C

InChI:

InChI=1/C23H26N2O2/c1-15(2)14-21(26)25-13-12-19-18-6-4-5-7-20(18)24-22(19)23(25)16-8-10-17(27-3)11-9-16/h4-11,15,23-24H,12-14H2,1-3H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1729 kcal/mol

Physical Properties
Molecular Weight: 362.473 g/mol	logS: -5.10956	SlogP: 4.79217	Reactive groups: 0

Topological Properties
Globularity: 0.172918	Sterimol/B1: 2.9572	Sterimol/B2: 5.15623	Sterimol/B3: 5.76902
Sterimol/B4: 8.78553	Sterimol/L: 15.0423

Surface and Volume Properties
Accessible surface: 643.864	Positive charged surface: 439.806	Negative charged surface: 199.027	Volume: 367.375
Hydrophobic surface: 554.702	Hydrophilic surface: 89.162

Pharmacophoric Properties
Hydrogen bond donors: 1	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.