MMsINC Database Search


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MMsINC code: MMs03960037

Type: Neutral
Formula: C₁₈H₂₆N₂O₂

SMILES:

O(CCCC)CCCNC(=O)c1n(c2c(cc(cc2)C)c1)C

InChI:

InChI=1/C18H26N2O2/c1-4-5-10-22-11-6-9-19-18(21)17-13-15-12-14(2)7-8-16(15)20(17)3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.9084 kcal/mol

Physical Properties
Molecular Weight: 302.418 g/mol	logS: -3.73037	SlogP: 3.78252	Reactive groups: 0

Topological Properties
Globularity: 0.00936208	Sterimol/B1: 2.51945	Sterimol/B2: 2.549	Sterimol/B3: 3.73383
Sterimol/B4: 6.41161	Sterimol/L: 21.5679

Surface and Volume Properties
Accessible surface: 642.801	Positive charged surface: 467.867	Negative charged surface: 168.984	Volume: 322.75
Hydrophobic surface: 568.346	Hydrophilic surface: 74.455

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.