MMsINC Database Search


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MMsINC code: MMs03276550

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

O=C(NC(C)c1ccccc1)CCCCCC

InChI:

InChI=1/C15H23NO/c1-3-4-5-9-12-15(17)16-13(2)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,16,17)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.2321 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -4.12823	SlogP: 3.9297	Reactive groups: 0

Topological Properties
Globularity: 0.0449916	Sterimol/B1: 3.18965	Sterimol/B2: 3.93561	Sterimol/B3: 3.98956
Sterimol/B4: 4.15208	Sterimol/L: 18.0495

Surface and Volume Properties
Accessible surface: 531.01	Positive charged surface: 370.751	Negative charged surface: 160.259	Volume: 263.375
Hydrophobic surface: 453.248	Hydrophilic surface: 77.762

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