MMsINC Database Search


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MMsINC code: MMs01221779

Type: Neutral
Formula: C₁₅H₁₂NO₃P

SMILES:

[PH](Oc1c2ncccc2ccc1)(Oc1ccccc1)=O

InChI:

InChI=1/C15H12NO3P/c17-20(18-13-8-2-1-3-9-13)19-14-10-4-6-12-7-5-11-16-15(12)14/h1-11,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6369 kcal/mol

Physical Properties
Molecular Weight: 285.239 g/mol	logS: -4.21541	SlogP: 3.0121	Reactive groups: 0

Topological Properties
Globularity: 0.0441608	Sterimol/B1: 2.53411	Sterimol/B2: 3.74237	Sterimol/B3: 4.52406
Sterimol/B4: 5.21825	Sterimol/L: 15.3459

Surface and Volume Properties
Accessible surface: 507.631	Positive charged surface: 263.355	Negative charged surface: 238.379	Volume: 257.875
Hydrophobic surface: 446.803	Hydrophilic surface: 60.828

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.