MMsINC Database Search


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MMsINC code: MMs02213273

Type: Neutral
Formula: C₁₈H₂₂N₂

SMILES:

N1(CCN(CC1)c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C18H22N2/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=187.667 kcal/mol

Physical Properties
Molecular Weight: 266.388 g/mol	logS: -4.13072	SlogP: 3.63004	Reactive groups: 0

Topological Properties
Globularity: 0.0267892	Sterimol/B1: 2.75081	Sterimol/B2: 3.04094	Sterimol/B3: 3.5761
Sterimol/B4: 3.57966	Sterimol/L: 17.9097

Surface and Volume Properties
Accessible surface: 536.638	Positive charged surface: 355.45	Negative charged surface: 181.188	Volume: 286
Hydrophobic surface: 510.023	Hydrophilic surface: 26.615

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.