MMsINC Database Search


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MMsINC code: MMs02250906

Type: Neutral
Formula: C₂₄H₂₁N₂O₃P

SMILES:

P(Oc1ccccc1)(Oc1ccccc1)(=O)C(Nc1ccccc1)c1ccncc1

InChI:

InChI=1/C24H21N2O3P/c27-30(28-22-12-6-2-7-13-22,29-23-14-8-3-9-15-23)24(20-16-18-25-19-17-20)26-21-10-4-1-5-11-21/h1-19,24,26H/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.419 kcal/mol

Physical Properties
Molecular Weight: 416.417 g/mol	logS: -4.99683	SlogP: 5.5687	Reactive groups: 0

Topological Properties
Globularity: 0.262968	Sterimol/B1: 3.22384	Sterimol/B2: 5.02764	Sterimol/B3: 6.54494
Sterimol/B4: 8.59443	Sterimol/L: 15.3212

Surface and Volume Properties
Accessible surface: 660.083	Positive charged surface: 395.923	Negative charged surface: 264.161	Volume: 396
Hydrophobic surface: 625.151	Hydrophilic surface: 34.932

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.