MMsINC Database Search


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MMsINC code: MMs02651148

Type: Neutral
Formula: C₁₉H₂₃ClN₂

SMILES:

Clc1ccc(cc1)CN1CCN(CC1)c1cccc(C)c1C

InChI:

InChI=1/C19H23ClN2/c1-15-4-3-5-19(16(15)2)22-12-10-21(11-13-22)14-17-6-8-18(20)9-7-17/h3-9H,10-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.867 kcal/mol

Physical Properties
Molecular Weight: 314.86 g/mol	logS: -4.4956	SlogP: 4.54544	Reactive groups: 0

Topological Properties
Globularity: 0.108624	Sterimol/B1: 3.30493	Sterimol/B2: 3.538	Sterimol/B3: 5.21574
Sterimol/B4: 5.46907	Sterimol/L: 17.2487

Surface and Volume Properties
Accessible surface: 578.454	Positive charged surface: 353.193	Negative charged surface: 225.261	Volume: 320.375
Hydrophobic surface: 561.793	Hydrophilic surface: 16.661

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

MMs02651149
PUBCHEM-ZINC00293717