MMsINC Database Search


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MMsINC code: MMs02308977

Type: Neutral
Formula: C₁₀H₁₅N

SMILES:

Nc1cc(ccc1C)C(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.5134 kcal/mol

Physical Properties
Molecular Weight: 149.237 g/mol	logS: -2.77059	SlogP: 2.70062	Reactive groups: 0

Topological Properties
Globularity: 0.116352	Sterimol/B1: 3.15811	Sterimol/B2: 3.62364	Sterimol/B3: 3.62497
Sterimol/B4: 4.94156	Sterimol/L: 10.8786

Surface and Volume Properties
Accessible surface: 369.109	Positive charged surface: 250.461	Negative charged surface: 118.647	Volume: 173.875
Hydrophobic surface: 277.767	Hydrophilic surface: 91.342

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.