MMsINC Database Search


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MMsINC code: MMs02691602

Type: Neutral
Formula: C₁₈H₂₄N₂

SMILES:

N(C)(C)c1ccc(NCc2ccc(cc2)C(C)C)cc1

InChI:

InChI=1/C18H24N2/c1-14(2)16-7-5-15(6-8-16)13-19-17-9-11-18(12-10-17)20(3)4/h5-12,14,19H,13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1984 kcal/mol

Physical Properties
Molecular Weight: 268.404 g/mol	logS: -4.38101	SlogP: 4.7545	Reactive groups: 0

Topological Properties
Globularity: 0.0337283	Sterimol/B1: 2.62714	Sterimol/B2: 3.06649	Sterimol/B3: 4.26091
Sterimol/B4: 4.70963	Sterimol/L: 18.4279

Surface and Volume Properties
Accessible surface: 571.68	Positive charged surface: 413.998	Negative charged surface: 157.681	Volume: 299.375
Hydrophobic surface: 513.188	Hydrophilic surface: 58.492

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.