MMsINC Database Search


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MMsINC code: MMs02189847

Type: Neutral
Formula: C₁₈H₂₄NOP

SMILES:

P(=O)(NC(C)c1ccccc1)(C(C)(C)C)c1ccccc1

InChI:

InChI=1/C18H24NOP/c1-15(16-11-7-5-8-12-16)19-21(20,18(2,3)4)17-13-9-6-10-14-17/h5-15H,1-4H3,(H,19,20)/t15-,21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5006 kcal/mol

Physical Properties
Molecular Weight: 301.37 g/mol	logS: -3.70015	SlogP: 3.7646	Reactive groups: 0

Topological Properties
Globularity: 0.168688	Sterimol/B1: 2.10895	Sterimol/B2: 4.23053	Sterimol/B3: 6.09177
Sterimol/B4: 6.24356	Sterimol/L: 14.633

Surface and Volume Properties
Accessible surface: 539.319	Positive charged surface: 306.829	Negative charged surface: 232.49	Volume: 314.125
Hydrophobic surface: 458.503	Hydrophilic surface: 80.816

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.