MMsINC Database Search


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MMsINC code: MMs02023525

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₂

SMILES:

Clc1cccc(NC(=O)C(=O)c2c3c([nH]c2C)cccc3)c1C

InChI:

InChI=1/C18H15ClN2O2/c1-10-13(19)7-5-9-14(10)21-18(23)17(22)16-11(2)20-15-8-4-3-6-12(15)16/h3-9,20H,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.1304 kcal/mol

Physical Properties
Molecular Weight: 326.783 g/mol	logS: -5.18427	SlogP: 4.25954	Reactive groups: 0

Topological Properties
Globularity: 0.0908412	Sterimol/B1: 2.48225	Sterimol/B2: 4.07887	Sterimol/B3: 4.89721
Sterimol/B4: 5.99892	Sterimol/L: 16.3633

Surface and Volume Properties
Accessible surface: 561.139	Positive charged surface: 272.664	Negative charged surface: 284.143	Volume: 301.75
Hydrophobic surface: 479.524	Hydrophilic surface: 81.615

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.