MMsINC Database Search


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MMsINC code: MMs02244606

Type: Neutral
Formula: C₁₈H₂₂N₂

SMILES:

N1(Cc2cc(ccc2N(Cc2cc(ccc12)C)C)C)C

InChI:

InChI=1/C18H22N2/c1-13-5-7-17-15(9-13)11-19(3)18-8-6-14(2)10-16(18)12-20(17)4/h5-10H,11-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.196 kcal/mol

Physical Properties
Molecular Weight: 266.388 g/mol	logS: -4.07784	SlogP: 4.42244	Reactive groups: 0

Topological Properties
Globularity: 0.43459	Sterimol/B1: 2.50748	Sterimol/B2: 3.37143	Sterimol/B3: 5.4809
Sterimol/B4: 6.88797	Sterimol/L: 13.0116

Surface and Volume Properties
Accessible surface: 515.207	Positive charged surface: 382.245	Negative charged surface: 132.963	Volume: 289.625
Hydrophobic surface: 506.302	Hydrophilic surface: 8.905

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.