MMsINC Database Search


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MMsINC code: MMs02300367

Type: Neutral
Formula: C₁₀H₁₅ClN+

SMILES:

Clc1ccc(cc1)C[N+](C)(C)C

InChI:

InChI=1/C10H15ClN/c1-12(2,3)8-9-4-6-10(11)7-5-9/h4-7H,8H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2712 kcal/mol

Physical Properties
Molecular Weight: 184.69 g/mol	logS: -1.86024	SlogP: 2.8126	Reactive groups: 0

Topological Properties
Globularity: 0.156781	Sterimol/B1: 2.35838	Sterimol/B2: 2.41997	Sterimol/B3: 4.07062
Sterimol/B4: 4.81778	Sterimol/L: 12.1993

Surface and Volume Properties
Accessible surface: 384.791	Positive charged surface: 261.3	Negative charged surface: 123.491	Volume: 190.25
Hydrophobic surface: 326.99	Hydrophilic surface: 57.801

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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.