MMsINC Database Search


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MMsINC code: MMs03237299

Type: Neutral
Formula: C₂₀H₂₈N₂

SMILES:

N(CC)(CC)c1ccc(cc1)Cc1ccc(N(CC)C)cc1

InChI:

InChI=1/C20H28N2/c1-5-21(4)19-12-8-17(9-13-19)16-18-10-14-20(15-11-18)22(6-2)7-3/h8-15H,5-7,16H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5556 kcal/mol

Physical Properties
Molecular Weight: 296.458 g/mol	logS: -4.33771	SlogP: 4.57967	Reactive groups: 0

Topological Properties
Globularity: 0.100511	Sterimol/B1: 2.85318	Sterimol/B2: 3.15539	Sterimol/B3: 5.7957
Sterimol/B4: 6.00251	Sterimol/L: 17.0425

Surface and Volume Properties
Accessible surface: 602.323	Positive charged surface: 436.473	Negative charged surface: 165.85	Volume: 337.875
Hydrophobic surface: 512.003	Hydrophilic surface: 90.32

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.