MMsINC Database Search


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MMsINC code: MMs01318341

Type: Neutral
Formula: C₁₇H₁₅ClFNO₅

SMILES:

Clc1cccc(F)c1C(OCC(=O)Nc1cc(OC)ccc1OC)=O

InChI:

InChI=1/C17H15ClFNO5/c1-23-10-6-7-14(24-2)13(8-10)20-15(21)9-25-17(22)16-11(18)4-3-5-12(16)19/h3-8H,9H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.011 kcal/mol

Physical Properties
Molecular Weight: 367.76 g/mol	logS: -4.89307	SlogP: 3.2918	Reactive groups: 0

Topological Properties
Globularity: 0.0404482	Sterimol/B1: 2.56133	Sterimol/B2: 3.94464	Sterimol/B3: 4.16719
Sterimol/B4: 9.35237	Sterimol/L: 16.6611

Surface and Volume Properties
Accessible surface: 618.909	Positive charged surface: 368.889	Negative charged surface: 250.021	Volume: 313.625
Hydrophobic surface: 525.799	Hydrophilic surface: 93.11

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.