MMsINC Database Search


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MMsINC code: MMs01170315

Type: Neutral
Formula: C₂₃H₃₄N₄O₄

SMILES:

O(CCCN(CC(=O)N(Cc1n(ccc1)C)CCOC)C(=O)Nc1ccc(cc1)C)C

InChI:

InChI=1/C23H34N4O4/c1-19-8-10-20(11-9-19)24-23(29)27(13-6-15-30-3)18-22(28)26(14-16-31-4)17-21-7-5-12-25(21)2/h5,7-12H,6,13-18H2,1-4H3,(H,24,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8059 kcal/mol

Physical Properties
Molecular Weight: 430.549 g/mol	logS: -2.6078	SlogP: 3.50472	Reactive groups: 0

Topological Properties
Globularity: 0.163714	Sterimol/B1: 3.66897	Sterimol/B2: 4.49322	Sterimol/B3: 5.71678
Sterimol/B4: 11.651	Sterimol/L: 18.2968

Surface and Volume Properties
Accessible surface: 789.854	Positive charged surface: 595.452	Negative charged surface: 194.402	Volume: 438.75
Hydrophobic surface: 709.735	Hydrophilic surface: 80.119

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.