MMsINC Database Search


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MMsINC code: MMs01167712

Type: Neutral
Formula: C₂₄H₃₆N₄O₂

SMILES:

O=C(N(Cc1n(ccc1)C)CCCC)CN(CC(C)C)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C24H36N4O2/c1-6-7-15-27(17-22-9-8-14-26(22)5)23(29)18-28(16-19(2)3)24(30)25-21-12-10-20(4)11-13-21/h8-14,19H,6-7,15-18H2,1-5H3,(H,25,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6016 kcal/mol

Physical Properties
Molecular Weight: 412.578 g/mol	logS: -3.8957	SlogP: 5.27792	Reactive groups: 0

Topological Properties
Globularity: 0.17094	Sterimol/B1: 2.31432	Sterimol/B2: 4.33324	Sterimol/B3: 6.86443
Sterimol/B4: 8.85545	Sterimol/L: 18.039

Surface and Volume Properties
Accessible surface: 745.945	Positive charged surface: 508.707	Negative charged surface: 237.238	Volume: 439.5
Hydrophobic surface: 617.714	Hydrophilic surface: 128.231

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.