MMsINC Database Search


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MMsINC code: MMs01215411

Type: Neutral
Formula: C₂₄H₃₄N₂O₅

SMILES:

o1cccc1CN(C(=O)CCCCCC)CC(=O)c1c(C)c(n(CC)c1C)C(OC)=O

InChI:

InChI=1/C24H34N2O5/c1-6-8-9-10-13-21(28)25(15-19-12-11-14-31-19)16-20(27)22-17(3)23(24(29)30-5)26(7-2)18(22)4/h11-12,14H,6-10,13,15-16H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8597 kcal/mol

Physical Properties
Molecular Weight: 430.545 g/mol	logS: -5.2188	SlogP: 5.21914	Reactive groups: 0

Topological Properties
Globularity: 0.0457465	Sterimol/B1: 2.43872	Sterimol/B2: 3.83527	Sterimol/B3: 3.94426
Sterimol/B4: 10.0724	Sterimol/L: 21.6181

Surface and Volume Properties
Accessible surface: 773.173	Positive charged surface: 529.828	Negative charged surface: 243.345	Volume: 438.75
Hydrophobic surface: 635.515	Hydrophilic surface: 137.658

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.