MMsINC Database Search


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MMsINC code: MMs03378525

Type: Neutral
Formula: C₁₉H₁₅Cl₂NO₃

SMILES:

Clc1ccc(cc1)C(=O)n1c2c(cc(OC)cc2)c(CC(Cl)=O)c1C

InChI:

InChI=1/C19H15Cl2NO3/c1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.253 kcal/mol

Physical Properties
Molecular Weight: 376.239 g/mol	logS: -6.00968	SlogP: 4.87359	Reactive groups: 1

Topological Properties
Globularity: 0.123986	Sterimol/B1: 3.93272	Sterimol/B2: 4.57486	Sterimol/B3: 4.66376
Sterimol/B4: 7.97882	Sterimol/L: 15.3448

Surface and Volume Properties
Accessible surface: 603.299	Positive charged surface: 271.986	Negative charged surface: 328.554	Volume: 330.25
Hydrophobic surface: 458.406	Hydrophilic surface: 144.893

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.