MMsINC Database Search


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MMsINC code: MMs02708243

Type: Neutral
Formula: C₁₈H₂₂N₂

SMILES:

N(Cc1ccc(cc1)C)c1ccc(N2CCCC2)cc1

InChI:

InChI=1/C18H22N2/c1-15-4-6-16(7-5-15)14-19-17-8-10-18(11-9-17)20-12-2-3-13-20/h4-11,19H,2-3,12-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.946 kcal/mol

Physical Properties
Molecular Weight: 266.388 g/mol	logS: -3.90295	SlogP: 4.47372	Reactive groups: 0

Topological Properties
Globularity: 0.0430017	Sterimol/B1: 3.40859	Sterimol/B2: 3.49052	Sterimol/B3: 3.84052
Sterimol/B4: 3.92499	Sterimol/L: 18.1522

Surface and Volume Properties
Accessible surface: 553.941	Positive charged surface: 379.869	Negative charged surface: 174.073	Volume: 290.125
Hydrophobic surface: 519.623	Hydrophilic surface: 34.318

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.