MMsINC Database Search


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MMsINC code: MMs00747653

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₂

SMILES:

Clc1ccccc1CNC(=O)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C17H17ClN2O2/c1-12-6-8-13(9-7-12)10-19-16(21)17(22)20-11-14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.8579 kcal/mol

Physical Properties
Molecular Weight: 316.788 g/mol	logS: -4.67969	SlogP: 3.11382	Reactive groups: 0

Topological Properties
Globularity: 0.0363021	Sterimol/B1: 2.68788	Sterimol/B2: 3.50685	Sterimol/B3: 4.51854
Sterimol/B4: 4.78233	Sterimol/L: 19.5661

Surface and Volume Properties
Accessible surface: 592.623	Positive charged surface: 317.425	Negative charged surface: 275.198	Volume: 299.125
Hydrophobic surface: 484.205	Hydrophilic surface: 108.418

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.