MMsINC Database Search


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MMsINC code: MMs01421979

Type: Neutral
Formula: C₁₉H₁₈ClNO₅

SMILES:

Clc1ccc(cc1)CCNC(=O)COC(=O)COc1ccc(cc1)C=O

InChI:

InChI=1/C19H18ClNO5/c20-16-5-1-14(2-6-16)9-10-21-18(23)12-26-19(24)13-25-17-7-3-15(11-22)4-8-17/h1-8,11H,9-10,12-13H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6825 kcal/mol

Physical Properties
Molecular Weight: 375.808 g/mol	logS: -4.58577	SlogP: 2.43337	Reactive groups: 1

Topological Properties
Globularity: 0.0179769	Sterimol/B1: 2.42075	Sterimol/B2: 4.12185	Sterimol/B3: 4.18912
Sterimol/B4: 4.81686	Sterimol/L: 24.0947

Surface and Volume Properties
Accessible surface: 675.704	Positive charged surface: 375.039	Negative charged surface: 300.665	Volume: 339.875
Hydrophobic surface: 508.576	Hydrophilic surface: 167.128

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.