MMsINC Database Search


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MMsINC code: MMs00692298

Type: Neutral
Formula: C₂₀H₂₈N₂

SMILES:

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

InChI:

InChI=1/C20H28N2/c1-15(2)20(16-7-11-18(12-8-16)21(3)4)17-9-13-19(14-10-17)22(5)6/h7-15,20H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.001 kcal/mol

Physical Properties
Molecular Weight: 296.458 g/mol	logS: -4.90174	SlogP: 4.6065	Reactive groups: 0

Topological Properties
Globularity: 0.140265	Sterimol/B1: 2.23349	Sterimol/B2: 3.05302	Sterimol/B3: 4.39039
Sterimol/B4: 8.27274	Sterimol/L: 15.8355

Surface and Volume Properties
Accessible surface: 591.301	Positive charged surface: 474.59	Negative charged surface: 116.711	Volume: 332.5
Hydrophobic surface: 554.31	Hydrophilic surface: 36.991

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.