MMsINC Database Search


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MMsINC code: MMs00141902

Type: Neutral
Formula: C₂₃H₂₆N₂O₃

SMILES:

OC=1c2c(N(CCC(C)C)C(=O)C=1C(=O)Nc1c(cccc1C)C)cccc2

InChI:

InChI=1/C23H26N2O3/c1-14(2)12-13-25-18-11-6-5-10-17(18)21(26)19(23(25)28)22(27)24-20-15(3)8-7-9-16(20)4/h5-11,14,26H,12-13H2,1-4H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.187 kcal/mol

Physical Properties
Molecular Weight: 378.472 g/mol	logS: -5.66966	SlogP: 4.60394	Reactive groups: 0

Topological Properties
Globularity: 0.101066	Sterimol/B1: 2.25469	Sterimol/B2: 5.78992	Sterimol/B3: 5.87248
Sterimol/B4: 6.67615	Sterimol/L: 17.0683

Surface and Volume Properties
Accessible surface: 642.292	Positive charged surface: 391.169	Negative charged surface: 251.123	Volume: 377.625
Hydrophobic surface: 531.514	Hydrophilic surface: 110.778

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.