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MMsINC code: MMs01010294

Type: Neutral
Formula: C₂₃H₂₈N₂O₃

SMILES:

o1c2c(cc(C)c(c2)C)c(C)c1C(=O)NCC(N(C)C)c1ccccc1OC

InChI:

InChI=1/C23H28N2O3/c1-14-11-18-16(3)22(28-21(18)12-15(14)2)23(26)24-13-19(25(4)5)17-9-7-8-10-20(17)27-6/h7-12,19H,13H2,1-6H3,(H,24,26)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.9 kcal/mol

Physical Properties
Molecular Weight: 380.488 g/mol	logS: -5.95374	SlogP: 4.49486	Reactive groups: 0

Topological Properties
Globularity: 0.0978957	Sterimol/B1: 4.23488	Sterimol/B2: 4.28112	Sterimol/B3: 5.27045
Sterimol/B4: 5.64831	Sterimol/L: 19.3538

Surface and Volume Properties
Accessible surface: 684.312	Positive charged surface: 484.394	Negative charged surface: 194.505	Volume: 386.125
Hydrophobic surface: 648.391	Hydrophilic surface: 35.921

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01010295
CHEMDIV-ZINC06747980