MMsINC Database Search


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MMsINC code: MMs03167214

Type: Neutral
Formula: C₂₃H₃₂N₄O₄

SMILES:

O(C(=O)CNC(=O)N(C(C)C)CC(=O)N(Cc1ccccc1)Cc1n(ccc1)C)CC

InChI:

InChI=1/C23H32N4O4/c1-5-31-22(29)14-24-23(30)27(18(2)3)17-21(28)26(15-19-10-7-6-8-11-19)16-20-12-9-13-25(20)4/h6-13,18H,5,14-17H2,1-4H3,(H,24,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9642 kcal/mol

Physical Properties
Molecular Weight: 428.533 g/mol	logS: -2.98067	SlogP: 3.429	Reactive groups: 1

Topological Properties
Globularity: 0.0997734	Sterimol/B1: 2.53139	Sterimol/B2: 6.50841	Sterimol/B3: 6.7774
Sterimol/B4: 6.87202	Sterimol/L: 19.3169

Surface and Volume Properties
Accessible surface: 725.571	Positive charged surface: 486.052	Negative charged surface: 239.519	Volume: 429.25
Hydrophobic surface: 552.781	Hydrophilic surface: 172.79

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.