MMsINC Database Search


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MMsINC code: MMs02202668

Type: Neutral
Formula: C₁₉H₁₅ClNO₅P

SMILES:

Clc1ccccc1NC(=O)c1ccccc1OP(Oc1ccccc1)(O)=O

InChI:

InChI=1/C19H15ClNO5P/c20-16-11-5-6-12-17(16)21-19(22)15-10-4-7-13-18(15)26-27(23,24)25-14-8-2-1-3-9-14/h1-13H,(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1208 kcal/mol

Physical Properties
Molecular Weight: 403.758 g/mol	logS: -5.6292	SlogP: 4.0803	Reactive groups: 0

Topological Properties
Globularity: 0.060313	Sterimol/B1: 3.49901	Sterimol/B2: 3.57012	Sterimol/B3: 4.3545
Sterimol/B4: 9.0114	Sterimol/L: 16.2298

Surface and Volume Properties
Accessible surface: 627.422	Positive charged surface: 287.145	Negative charged surface: 340.276	Volume: 342.25
Hydrophobic surface: 546.979	Hydrophilic surface: 80.443

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.