MMsINC Database Search


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MMsINC code: MMs01060182

Type: Neutral
Formula: C₂₄H₃₀N₂O₂

SMILES:

O(CCCNC(=O)c1cc2c(n(Cc3cc(ccc3)C)c(C)c2C)cc1)CC

InChI:

InChI=1/C24H30N2O2/c1-5-28-13-7-12-25-24(27)21-10-11-23-22(15-21)18(3)19(4)26(23)16-20-9-6-8-17(2)14-20/h6,8-11,14-15H,5,7,12-13,16H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7381 kcal/mol

Physical Properties
Molecular Weight: 378.516 g/mol	logS: -5.10222	SlogP: 5.03766	Reactive groups: 0

Topological Properties
Globularity: 0.0332528	Sterimol/B1: 3.48717	Sterimol/B2: 3.68863	Sterimol/B3: 5.13503
Sterimol/B4: 7.98253	Sterimol/L: 20.9095

Surface and Volume Properties
Accessible surface: 726.31	Positive charged surface: 482.887	Negative charged surface: 237.174	Volume: 401.125
Hydrophobic surface: 639.056	Hydrophilic surface: 87.254

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.