MMsINC Database Search


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MMsINC code: MMs00021103

Type: Neutral
Formula: C₁₉H₁₆ClNO₄

SMILES:

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

InChI:

InChI=1/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.9257 kcal/mol

Physical Properties
Molecular Weight: 357.793 g/mol	logS: -4.85293	SlogP: 3.92729	Reactive groups: 0

Topological Properties
Globularity: 0.121574	Sterimol/B1: 3.64102	Sterimol/B2: 3.99191	Sterimol/B3: 4.48099
Sterimol/B4: 8.48624	Sterimol/L: 15.19

Surface and Volume Properties
Accessible surface: 590.104	Positive charged surface: 313.123	Negative charged surface: 274.222	Volume: 321
Hydrophobic surface: 462.079	Hydrophilic surface: 128.025

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00021104
ALFAAESAR-ZINC00601283