MMsINC Database Search


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MMsINC code: MMs02834576

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(OC)=O)C(=O)N(Cc2ccc(Cl)cc2)C1=O

InChI:

InChI=1/C19H14Cl2N2O4/c1-27-19(26)12-3-2-4-14(9-12)22-16-15(21)17(24)23(18(16)25)10-11-5-7-13(20)8-6-11/h2-9,22H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8403 kcal/mol

Physical Properties
Molecular Weight: 405.237 g/mol	logS: -6.07019	SlogP: 3.9332	Reactive groups: 1

Topological Properties
Globularity: 0.112064	Sterimol/B1: 2.13538	Sterimol/B2: 4.69687	Sterimol/B3: 5.12358
Sterimol/B4: 8.39144	Sterimol/L: 17.5692

Surface and Volume Properties
Accessible surface: 644.413	Positive charged surface: 317.027	Negative charged surface: 327.386	Volume: 344.625
Hydrophobic surface: 526.748	Hydrophilic surface: 117.665

Pharmacophoric Properties
Hydrogen bond donors: 1	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.