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MMsINC code: MMs02879543

Type: Neutral
Formula: C₁₇H₁₃ClNO₅P

SMILES:

Clc1ccc(NC(=O)c2cc3c(cc2OP(O)(O)=O)cccc3)cc1

InChI:

InChI=1/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.5336 kcal/mol

Physical Properties
Molecular Weight: 377.72 g/mol	logS: -5.45982	SlogP: 3.1468	Reactive groups: 0

Topological Properties
Globularity: 0.0466066	Sterimol/B1: 2.42614	Sterimol/B2: 3.37273	Sterimol/B3: 3.43164
Sterimol/B4: 9.33338	Sterimol/L: 17.4902

Surface and Volume Properties
Accessible surface: 581.597	Positive charged surface: 253.734	Negative charged surface: 317.049	Volume: 308.875
Hydrophobic surface: 428.225	Hydrophilic surface: 153.372

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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.