MMsINC Database Search


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MMsINC code: MMs03216459

Type: Neutral
Formula: C₁₀H₁₁N

SMILES:

n1(c2c(cc(cc2)C)cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.0385 kcal/mol

Physical Properties
Molecular Weight: 145.205 g/mol	logS: -2.04271	SlogP: 2.84592	Reactive groups: 0

Topological Properties
Globularity: 0.0222869	Sterimol/B1: 2.51228	Sterimol/B2: 2.51494	Sterimol/B3: 3.8185
Sterimol/B4: 4.61076	Sterimol/L: 11.0157

Surface and Volume Properties
Accessible surface: 352.574	Positive charged surface: 220.812	Negative charged surface: 126.133	Volume: 162.5
Hydrophobic surface: 332.108	Hydrophilic surface: 20.466

Pharmacophoric Properties
Hydrogen bond donors: 0	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.