MMsINC Database Search


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MMsINC code: MMs03785128

Type: Neutral
Formula: C₁₄H₁₆NO₃P

SMILES:

P(O)(O)(=O)C(NCc1ccccc1)c1ccccc1

InChI:

InChI=1/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.0424 kcal/mol

Physical Properties
Molecular Weight: 277.26 g/mol	logS: -2.10449	SlogP: 1.9444	Reactive groups: 0

Topological Properties
Globularity: 0.114007	Sterimol/B1: 3.36869	Sterimol/B2: 3.51655	Sterimol/B3: 3.64781
Sterimol/B4: 6.65603	Sterimol/L: 13.8463

Surface and Volume Properties
Accessible surface: 506.047	Positive charged surface: 282.6	Negative charged surface: 223.447	Volume: 259.625
Hydrophobic surface: 381.643	Hydrophilic surface: 124.404

Pharmacophoric Properties
Hydrogen bond donors: 4	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.