MMsINC Database Search


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MMsINC code: MMs02119156

Type: Neutral
Formula: C₁₄H₁₅N

SMILES:

n1c2CCCCCc2cc2c1cccc2

InChI:

InChI=1/C14H15N/c1-2-6-11-10-12-7-4-5-9-14(12)15-13(11)8-3-1/h4-5,7,9-10H,1-3,6,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.3945 kcal/mol

Physical Properties
Molecular Weight: 197.281 g/mol	logS: -3.57745	SlogP: 3.50364	Reactive groups: 0

Topological Properties
Globularity: 0.0659702	Sterimol/B1: 2.68584	Sterimol/B2: 3.30894	Sterimol/B3: 3.39319
Sterimol/B4: 4.62082	Sterimol/L: 12.3137

Surface and Volume Properties
Accessible surface: 409.535	Positive charged surface: 260.107	Negative charged surface: 143.892	Volume: 209.625
Hydrophobic surface: 393.524	Hydrophilic surface: 16.011

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.