MMsINC Database Search


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MMsINC code: MMs01588384

Type: Neutral
Formula: C₁₇H₁₆ClNO₄

SMILES:

Clc1cc(N)c(cc1)C(OC(C(=O)c1ccc(OC)cc1)C)=O

InChI:

InChI=1/C17H16ClNO4/c1-10(16(20)11-3-6-13(22-2)7-4-11)23-17(21)14-8-5-12(18)9-15(14)19/h3-10H,19H2,1-2H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0933 kcal/mol

Physical Properties
Molecular Weight: 333.771 g/mol	logS: -4.69862	SlogP: 3.359	Reactive groups: 0

Topological Properties
Globularity: 0.0476868	Sterimol/B1: 1.98412	Sterimol/B2: 4.39477	Sterimol/B3: 4.48322
Sterimol/B4: 5.17312	Sterimol/L: 19.3121

Surface and Volume Properties
Accessible surface: 581.064	Positive charged surface: 322.596	Negative charged surface: 258.468	Volume: 303.375
Hydrophobic surface: 446.008	Hydrophilic surface: 135.056

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.