MMsINC Database Search


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MMsINC code: MMs02904448

Type: Neutral
Formula: C₁₄H₂₃N

SMILES:

Nc1ccc(cc1C(C)(C)C)C(C)(C)C

InChI:

InChI=1/C14H23N/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9H,15H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5364 kcal/mol

Physical Properties
Molecular Weight: 205.345 g/mol	logS: -4.83147	SlogP: 3.8638	Reactive groups: 0

Topological Properties
Globularity: 0.143218	Sterimol/B1: 3.62422	Sterimol/B2: 3.62855	Sterimol/B3: 4.09145
Sterimol/B4: 5.08524	Sterimol/L: 11.7281

Surface and Volume Properties
Accessible surface: 435.1	Positive charged surface: 297.908	Negative charged surface: 137.193	Volume: 237
Hydrophobic surface: 300.008	Hydrophilic surface: 135.092

Pharmacophoric Properties
Hydrogen bond donors: 1	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.