MMsINC Database Search


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MMsINC code: MMs00807801

Type: Neutral
Formula: C₁₉H₁₄ClNO₅

SMILES:

Clc1ccc(cc1)C1N(C(=O)C(=O)C1C(=O)C)c1cc(ccc1)C(O)=O

InChI:

InChI=1/C19H14ClNO5/c1-10(22)15-16(11-5-7-13(20)8-6-11)21(18(24)17(15)23)14-4-2-3-12(9-14)19(25)26/h2-9,15-16H,1H3,(H,25,26)/t15-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0415 kcal/mol

Physical Properties
Molecular Weight: 371.776 g/mol	logS: -4.52795	SlogP: 2.9959	Reactive groups: 0

Topological Properties
Globularity: 0.226362	Sterimol/B1: 2.73234	Sterimol/B2: 4.43503	Sterimol/B3: 5.9297
Sterimol/B4: 7.62282	Sterimol/L: 13.8514

Surface and Volume Properties
Accessible surface: 570.277	Positive charged surface: 259.569	Negative charged surface: 310.708	Volume: 319.25
Hydrophobic surface: 375.61	Hydrophilic surface: 194.667

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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