MMsINC Database Search


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MMsINC code: MMs02892840

Type: Neutral
Formula: C₁₈H₂₄N₂

SMILES:

N(C)(C)c1ccc(cc1)CCc1ccc(N(C)C)cc1

InChI:

InChI=1/C18H24N2/c1-19(2)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20(3)4/h7-14H,5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3166 kcal/mol

Physical Properties
Molecular Weight: 268.404 g/mol	logS: -3.731	SlogP: 3.60374	Reactive groups: 0

Topological Properties
Globularity: 0.0154441	Sterimol/B1: 2.36358	Sterimol/B2: 2.5732	Sterimol/B3: 2.91265
Sterimol/B4: 4.8913	Sterimol/L: 18.2879

Surface and Volume Properties
Accessible surface: 565.418	Positive charged surface: 433.88	Negative charged surface: 131.537	Volume: 300
Hydrophobic surface: 565.186	Hydrophilic surface: 0.23199999999997

Pharmacophoric Properties
Hydrogen bond donors: 0	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.