MMsINC Database Search


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MMsINC code: MMs02226269

Type: Neutral
Formula: C₁₀H₁₁N

SMILES:

[nH]1cc(c2cc(ccc12)C)C

InChI:

InChI=1/C10H11N/c1-7-3-4-10-9(5-7)8(2)6-11-10/h3-6,11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.8853 kcal/mol

Physical Properties
Molecular Weight: 145.205 g/mol	logS: -2.30917	SlogP: 2.78474	Reactive groups: 0

Topological Properties
Globularity: 0.0253596	Sterimol/B1: 2.10406	Sterimol/B2: 2.51227	Sterimol/B3: 2.80121
Sterimol/B4: 5.59453	Sterimol/L: 10.547

Surface and Volume Properties
Accessible surface: 354.089	Positive charged surface: 208.24	Negative charged surface: 140.221	Volume: 159.375
Hydrophobic surface: 303.49	Hydrophilic surface: 50.599

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.