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MMsINC code: MMs00894098

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C)c1ccc(N2C=C(c3c(cccc3)C2=O)C(=O)NC2CCCCCC2)cc1

InChI:

InChI=1/C24H26N2O3/c1-29-19-14-12-18(13-15-19)26-16-22(20-10-6-7-11-21(20)24(26)28)23(27)25-17-8-4-2-3-5-9-17/h6-7,10-17H,2-5,8-9H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.043 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.86275	SlogP: 4.5355	Reactive groups: 0

Topological Properties
Globularity: 0.0642322	Sterimol/B1: 2.2122	Sterimol/B2: 3.06264	Sterimol/B3: 4.31832
Sterimol/B4: 12.0956	Sterimol/L: 16.9624

Surface and Volume Properties
Accessible surface: 668.565	Positive charged surface: 445.841	Negative charged surface: 222.724	Volume: 385.25
Hydrophobic surface: 604.234	Hydrophilic surface: 64.331

Pharmacophoric Properties
Hydrogen bond donors: 1	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.