MMsINC Database Search


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MMsINC code: MMs02399204

Type: Neutral
Formula: C₁₅H₃₂N₂O₂

SMILES:

O(CCCCC)C(=O)NC(CCCN(CC)CC)C

InChI:

InChI=1/C15H32N2O2/c1-5-8-9-13-19-15(18)16-14(4)11-10-12-17(6-2)7-3/h14H,5-13H2,1-4H3,(H,16,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.645443 kcal/mol

Physical Properties
Molecular Weight: 272.433 g/mol	logS: -2.68241	SlogP: 3.4133	Reactive groups: 0

Topological Properties
Globularity: 0.0326621	Sterimol/B1: 3.02548	Sterimol/B2: 3.36604	Sterimol/B3: 4.02493
Sterimol/B4: 7.64333	Sterimol/L: 19.2605

Surface and Volume Properties
Accessible surface: 630.285	Positive charged surface: 495.863	Negative charged surface: 134.421	Volume: 312.625
Hydrophobic surface: 488.128	Hydrophilic surface: 142.157

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

MMs02399205
NCID-ZINC04742749