MMsINC Database Search


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MMsINC code: MMs03115071

Type: Neutral
Formula: C₂₄H₂₉N₃O₂

SMILES:

O(C)c1cc(ccc1)-c1nn(-c2cc(ccc2C)C)c(c1)C(=O)NCCCCC

InChI:

InChI=1/C24H29N3O2/c1-5-6-7-13-25-24(28)23-16-21(19-9-8-10-20(15-19)29-4)26-27(23)22-14-17(2)11-12-18(22)3/h8-12,14-16H,5-7,13H2,1-4H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2328 kcal/mol

Physical Properties
Molecular Weight: 391.515 g/mol	logS: -6.47721	SlogP: 5.08474	Reactive groups: 0

Topological Properties
Globularity: 0.0528047	Sterimol/B1: 3.7484	Sterimol/B2: 3.93695	Sterimol/B3: 5.28855
Sterimol/B4: 6.41904	Sterimol/L: 20.9662

Surface and Volume Properties
Accessible surface: 696.327	Positive charged surface: 467.614	Negative charged surface: 228.714	Volume: 406.875
Hydrophobic surface: 614.137	Hydrophilic surface: 82.19

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.