MMsINC Database Search


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MMsINC code: MMs00717351

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₂

SMILES:

Clc1cc(NC(=O)C(=O)NCc2ccccc2C)ccc1

InChI:

InChI=1/C16H15ClN2O2/c1-11-5-2-3-6-12(11)10-18-15(20)16(21)19-14-8-4-7-13(17)9-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5811 kcal/mol

Physical Properties
Molecular Weight: 302.761 g/mol	logS: -4.73565	SlogP: 3.16972	Reactive groups: 0

Topological Properties
Globularity: 0.0664451	Sterimol/B1: 2.15854	Sterimol/B2: 4.05164	Sterimol/B3: 5.14268
Sterimol/B4: 5.53979	Sterimol/L: 16.4786

Surface and Volume Properties
Accessible surface: 550.161	Positive charged surface: 275.581	Negative charged surface: 274.579	Volume: 280.5
Hydrophobic surface: 453.639	Hydrophilic surface: 96.522

Pharmacophoric Properties
Hydrogen bond donors: 2	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.