MMsINC Database Search


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MMsINC code: MMs01236171

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₅

SMILES:

Clc1cc(NC(=O)COC(=O)C(N2C(=O)c3c(cccc3)C2=O)C)cc(Cl)c1

InChI:

InChI=1/C19H14Cl2N2O5/c1-10(23-17(25)14-4-2-3-5-15(14)18(23)26)19(27)28-9-16(24)22-13-7-11(20)6-12(21)8-13/h2-8,10H,9H2,1H3,(H,22,24)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7314 kcal/mol

Physical Properties
Molecular Weight: 421.236 g/mol	logS: -6.13512	SlogP: 3.1598	Reactive groups: 0

Topological Properties
Globularity: 0.0380042	Sterimol/B1: 2.41842	Sterimol/B2: 3.3537	Sterimol/B3: 4.71312
Sterimol/B4: 6.67391	Sterimol/L: 20.6472

Surface and Volume Properties
Accessible surface: 659.969	Positive charged surface: 300.013	Negative charged surface: 359.956	Volume: 349.875
Hydrophobic surface: 502.027	Hydrophilic surface: 157.942

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.