MMsINC Database Search


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MMsINC code: MMs00011583

Type: Neutral
Formula: C₁₄H₂₃N

SMILES:

n1c(cc(cc1C(C)(C)C)C)C(C)(C)C

InChI:

InChI=1/C14H23N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9129 kcal/mol

Physical Properties
Molecular Weight: 205.345 g/mol	logS: -2.43806	SlogP: 3.98502	Reactive groups: 0

Topological Properties
Globularity: 0.164123	Sterimol/B1: 1.969	Sterimol/B2: 3.60357	Sterimol/B3: 3.60683
Sterimol/B4: 7.8864	Sterimol/L: 11.645

Surface and Volume Properties
Accessible surface: 457.985	Positive charged surface: 311.346	Negative charged surface: 146.639	Volume: 243.125
Hydrophobic surface: 353.262	Hydrophilic surface: 104.723

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.