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MMsINC code: MMs00915668

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

OC(=O)c1n(c2c(cccc2)c1CC(=O)N1CCC(CC1)Cc1ccccc1)C

InChI:

InChI=1/C24H26N2O3/c1-25-21-10-6-5-9-19(21)20(23(25)24(28)29)16-22(27)26-13-11-18(12-14-26)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7442 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -4.56425	SlogP: 4.25944	Reactive groups: 0

Topological Properties
Globularity: 0.0802415	Sterimol/B1: 3.59863	Sterimol/B2: 4.49662	Sterimol/B3: 4.54619
Sterimol/B4: 7.70072	Sterimol/L: 18.3902

Surface and Volume Properties
Accessible surface: 663.328	Positive charged surface: 444.191	Negative charged surface: 215.512	Volume: 388.625
Hydrophobic surface: 564.105	Hydrophilic surface: 99.223

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

MMs00915669
CHEMDIV-ZINC03660287