MMsINC Database Search


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MMsINC code: MMs00049082

Type: Neutral
Formula: C₁₅H₂₅N

SMILES:

Nc1c(cc(cc1C)C(C)(C)C)C(C)(C)C

InChI:

InChI=1/C15H25N/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9H,16H2,1-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.713 kcal/mol

Physical Properties
Molecular Weight: 219.372 g/mol	logS: -4.99194	SlogP: 4.17222	Reactive groups: 0

Topological Properties
Globularity: 0.147973	Sterimol/B1: 1.969	Sterimol/B2: 3.62647	Sterimol/B3: 3.62658
Sterimol/B4: 8.16213	Sterimol/L: 11.702

Surface and Volume Properties
Accessible surface: 462.997	Positive charged surface: 318.08	Negative charged surface: 144.917	Volume: 255
Hydrophobic surface: 334.28	Hydrophilic surface: 128.717

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.