MMsINC Database Search


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MMsINC code: MMs01184206

Type: Neutral
Formula: C₂₄H₃₆N₄O

SMILES:

O=C(N(Cc1nccn1Cc1cc(ccc1C)C)C1CCCCC1)NC(C)(C)C

InChI:

InChI=1/C24H36N4O/c1-18-11-12-19(2)20(15-18)16-27-14-13-25-22(27)17-28(21-9-7-6-8-10-21)23(29)26-24(3,4)5/h11-15,21H,6-10,16-17H2,1-5H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.376 kcal/mol

Physical Properties
Molecular Weight: 396.579 g/mol	logS: -4.7648	SlogP: 5.72384	Reactive groups: 0

Topological Properties
Globularity: 0.219556	Sterimol/B1: 2.11066	Sterimol/B2: 4.58378	Sterimol/B3: 7.37091
Sterimol/B4: 7.45748	Sterimol/L: 15.7483

Surface and Volume Properties
Accessible surface: 674.677	Positive charged surface: 475.681	Negative charged surface: 198.995	Volume: 420.125
Hydrophobic surface: 593.224	Hydrophilic surface: 81.453

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.