MMsINC Database Search


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MMsINC code: MMs02983493

Type: Neutral
Formula: C₁₈H₁₉ClN₂

SMILES:

Clc1ccc(cc1)\C=N\c1ccc(N2CCCCC2)cc1

InChI:

InChI=1/C18H19ClN2/c19-16-6-4-15(5-7-16)14-20-17-8-10-18(11-9-17)21-12-2-1-3-13-21/h4-11,14H,1-3,12-13H2/b20-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.325 kcal/mol

Physical Properties
Molecular Weight: 298.817 g/mol	logS: -4.72547	SlogP: 5.0809	Reactive groups: 0

Topological Properties
Globularity: 0.0202343	Sterimol/B1: 2.41986	Sterimol/B2: 2.57517	Sterimol/B3: 3.41995
Sterimol/B4: 5.17096	Sterimol/L: 19.5066

Surface and Volume Properties
Accessible surface: 567.759	Positive charged surface: 339.868	Negative charged surface: 227.892	Volume: 298.75
Hydrophobic surface: 540.412	Hydrophilic surface: 27.347

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.