MMsINC Database Search


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MMsINC code: MMs02988387

Type: Neutral
Formula: C₁₈H₁₆NO₄P

SMILES:

P(Oc1ccccc1)(Oc1ccccc1)(=O)C(O)c1ccncc1

InChI:

InChI=1/C18H16NO4P/c20-18(15-11-13-19-14-12-15)24(21,22-16-7-3-1-4-8-16)23-17-9-5-2-6-10-17/h1-14,18,20H/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.352 kcal/mol

Physical Properties
Molecular Weight: 341.303 g/mol	logS: -3.20349	SlogP: 3.4489	Reactive groups: 0

Topological Properties
Globularity: 0.211476	Sterimol/B1: 3.48568	Sterimol/B2: 5.05181	Sterimol/B3: 5.06894
Sterimol/B4: 8.50271	Sterimol/L: 12.9594

Surface and Volume Properties
Accessible surface: 552.855	Positive charged surface: 327.028	Negative charged surface: 225.827	Volume: 312.25
Hydrophobic surface: 479.665	Hydrophilic surface: 73.19

Pharmacophoric Properties
Hydrogen bond donors: 1	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.