MMsINC Database Search


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MMsINC code: MMs02531474

Type: Neutral
Formula: C₁₅H₁₉N₂OP

SMILES:

P(=O)(Nc1ccccc1C)(Nc1ccccc1C)C

InChI:

InChI=1/C15H19N2OP/c1-12-8-4-6-10-14(12)16-19(3,18)17-15-11-7-5-9-13(15)2/h4-11H,1-3H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1627 kcal/mol

Physical Properties
Molecular Weight: 274.304 g/mol	logS: -2.4655	SlogP: 3.58014	Reactive groups: 0

Topological Properties
Globularity: 0.031566	Sterimol/B1: 1.969	Sterimol/B2: 3.29021	Sterimol/B3: 3.61503
Sterimol/B4: 6.80356	Sterimol/L: 15.1726

Surface and Volume Properties
Accessible surface: 511.44	Positive charged surface: 293.147	Negative charged surface: 218.293	Volume: 272
Hydrophobic surface: 452.997	Hydrophilic surface: 58.443

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.