MMsINC Database Search


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MMsINC code: MMs02674576

Type: Neutral
Formula: C₁₅H₁₅ClN₂O

SMILES:

Clc1ccccc1NC(=O)Nc1c(cccc1C)C

InChI:

InChI=1/C15H15ClN2O/c1-10-6-5-7-11(2)14(10)18-15(19)17-13-9-4-3-8-12(13)16/h3-9H,1-2H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9596 kcal/mol

Physical Properties
Molecular Weight: 274.751 g/mol	logS: -4.30728	SlogP: 4.60084	Reactive groups: 0

Topological Properties
Globularity: 0.117504	Sterimol/B1: 2.28252	Sterimol/B2: 3.68963	Sterimol/B3: 5.20117
Sterimol/B4: 6.62127	Sterimol/L: 14.3491

Surface and Volume Properties
Accessible surface: 501.62	Positive charged surface: 265.757	Negative charged surface: 235.863	Volume: 261.25
Hydrophobic surface: 469.004	Hydrophilic surface: 32.616

Pharmacophoric Properties
Hydrogen bond donors: 2	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.