MMsINC Database Search


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MMsINC code: MMs02867365

Type: Neutral
Formula: C₂₀H₂₅N

SMILES:

N1(c2c(cccc2)C(CC1(C)C)(C)c1ccccc1)CC

InChI:

InChI=1/C20H25N/c1-5-21-18-14-10-9-13-17(18)20(4,15-19(21,2)3)16-11-7-6-8-12-16/h6-14H,5,15H2,1-4H3/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.446 kcal/mol

Physical Properties
Molecular Weight: 279.427 g/mol	logS: -4.83724	SlogP: 5.0012	Reactive groups: 0

Topological Properties
Globularity: 0.269843	Sterimol/B1: 3.26577	Sterimol/B2: 5.01214	Sterimol/B3: 5.39241
Sterimol/B4: 5.69082	Sterimol/L: 13.4995

Surface and Volume Properties
Accessible surface: 503.719	Positive charged surface: 314.235	Negative charged surface: 189.484	Volume: 305.25
Hydrophobic surface: 433.762	Hydrophilic surface: 69.957

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.