MMsINC Database Search


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MMsINC code: MMs02324902

Type: Neutral
Formula: C₂₀H₃₅NO

SMILES:

OC(C(N(CCCC)CCCC)CCCC)c1ccccc1

InChI:

InChI=1/C20H35NO/c1-4-7-15-19(20(22)18-13-11-10-12-14-18)21(16-8-5-2)17-9-6-3/h10-14,19-20,22H,4-9,15-17H2,1-3H3/t19-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7261 kcal/mol

Physical Properties
Molecular Weight: 305.506 g/mol	logS: -4.70161	SlogP: 5.2765	Reactive groups: 0

Topological Properties
Globularity: 0.466601	Sterimol/B1: 2.41228	Sterimol/B2: 4.45733	Sterimol/B3: 5.79867
Sterimol/B4: 9.47361	Sterimol/L: 14.2811

Surface and Volume Properties
Accessible surface: 619.256	Positive charged surface: 440.521	Negative charged surface: 178.735	Volume: 355.125
Hydrophobic surface: 521.49	Hydrophilic surface: 97.766

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules

MMs02324903
NCID-ZINC01693426