MMsINC Database Search


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MMsINC code: MMs00709607

Type: Neutral
Formula: C₁₅H₂₄NO₃P

SMILES:

P(OC)(OC)(=O)C1(Nc2ccc(cc2)C)CCCCC1

InChI:

InChI=1/C15H24NO3P/c1-13-7-9-14(10-8-13)16-15(11-5-4-6-12-15)20(17,18-2)19-3/h7-10,16H,4-6,11-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.004 kcal/mol

Physical Properties
Molecular Weight: 297.335 g/mol	logS: -3.2032	SlogP: 3.48302	Reactive groups: 0

Topological Properties
Globularity: 0.161892	Sterimol/B1: 3.46636	Sterimol/B2: 4.21485	Sterimol/B3: 4.72494
Sterimol/B4: 6.50502	Sterimol/L: 13.5354

Surface and Volume Properties
Accessible surface: 518.467	Positive charged surface: 391.877	Negative charged surface: 126.59	Volume: 289.25
Hydrophobic surface: 485.029	Hydrophilic surface: 33.438

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.