MMsINC Database Search


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MMsINC code: MMs02851598

Type: Neutral
Formula: C₁₁H₁₅ClN₂

SMILES:

Clc1ccc(cc1)C1N(CCN1C)C

InChI:

InChI=1/C11H15ClN2/c1-13-7-8-14(2)11(13)9-3-5-10(12)6-4-9/h3-6,11H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.6868 kcal/mol

Physical Properties
Molecular Weight: 210.708 g/mol	logS: -1.91808	SlogP: 2.3113	Reactive groups: 0

Topological Properties
Globularity: 0.140851	Sterimol/B1: 2.32141	Sterimol/B2: 2.3792	Sterimol/B3: 4.37583
Sterimol/B4: 6.64677	Sterimol/L: 12.1174

Surface and Volume Properties
Accessible surface: 412.164	Positive charged surface: 276.741	Negative charged surface: 135.422	Volume: 210.25
Hydrophobic surface: 409.644	Hydrophilic surface: 2.52

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.