MMsINC Database Search


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MMsINC code: MMs02877920

Type: Neutral
Formula: C₁₅H₁₅ClN₂

SMILES:

Clc1ccccc1\N=C\c1ccc(N(C)C)cc1

InChI:

InChI=1/C15H15ClN2/c1-18(2)13-9-7-12(8-10-13)11-17-15-6-4-3-5-14(15)16/h3-11H,1-2H3/b17-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1513 kcal/mol

Physical Properties
Molecular Weight: 258.752 g/mol	logS: -3.97132	SlogP: 4.1566	Reactive groups: 0

Topological Properties
Globularity: 0.0189122	Sterimol/B1: 2.84827	Sterimol/B2: 2.90826	Sterimol/B3: 2.96764
Sterimol/B4: 5.77919	Sterimol/L: 16.4497

Surface and Volume Properties
Accessible surface: 504.831	Positive charged surface: 309.333	Negative charged surface: 195.498	Volume: 260.375
Hydrophobic surface: 490.086	Hydrophilic surface: 14.745

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.