MMsINC Database Search


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MMsINC code: MMs03501935

Type: Neutral
Formula: C₁₁H₂₀N₃OP

SMILES:

P(=O)(N(C)C)(N(C)C)CNc1ccccc1

InChI:

InChI=1/C11H20N3OP/c1-13(2)16(15,14(3)4)10-12-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2747 kcal/mol

Physical Properties
Molecular Weight: 241.275 g/mol	logS: 0.0557	SlogP: 1.3021	Reactive groups: 0

Topological Properties
Globularity: 0.15913	Sterimol/B1: 2.29362	Sterimol/B2: 3.52476	Sterimol/B3: 5.34211
Sterimol/B4: 5.65358	Sterimol/L: 12.4076

Surface and Volume Properties
Accessible surface: 454.312	Positive charged surface: 355.727	Negative charged surface: 98.5851	Volume: 243.25
Hydrophobic surface: 417.818	Hydrophilic surface: 36.494

Pharmacophoric Properties
Hydrogen bond donors: 1	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.