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NCID-ZINC01688166

MMsINC code: MMs02320757

Type: Neutral
Formula: C₁₀H₁₅N

SMILES:

NCCc1cc(cc(c1)C)C

InChI:

InChI=1/C10H15N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3-4,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.5315 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 149.237 g/mol	logS: -2.05911	SlogP: 1.80461	Reactive groups: 0

Topological Properties
Globularity: 0.0766478	Sterimol/B1: 2.27366	Sterimol/B2: 2.55137	Sterimol/B3: 2.93975
Sterimol/B4: 7.22818	Sterimol/L: 10.9644

Surface and Volume Properties
Accessible surface: 383.261	Positive charged surface: 269.671	Negative charged surface: 113.59	Volume: 173.25
Hydrophobic surface: 315.196	Hydrophilic surface: 68.065

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02320758
NCID-ZINC01688166