MMsINC Database Search


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MMsINC code: MMs00023467

Type: Neutral
Formula: C₁₀H₁₅N

SMILES:

Nc1cc(C)c(cc1)C(C)C

InChI:

InChI=1/C10H15N/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.0154 kcal/mol

Physical Properties
Molecular Weight: 149.237 g/mol	logS: -3.08404	SlogP: 2.70062	Reactive groups: 0

Topological Properties
Globularity: 0.146154	Sterimol/B1: 2.19742	Sterimol/B2: 3.54017	Sterimol/B3: 3.67671
Sterimol/B4: 6.41216	Sterimol/L: 10.7382

Surface and Volume Properties
Accessible surface: 363.302	Positive charged surface: 245.676	Negative charged surface: 117.626	Volume: 173.125
Hydrophobic surface: 261.596	Hydrophilic surface: 101.706

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.