MMsINC Database Search


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MMsINC code: MMs03028376

Type: Neutral
Formula: C₁₆H₂₇N

SMILES:

N(C(Cc1ccc(cc1)CCCCCC)C)C

InChI:

InChI=1/C16H27N/c1-4-5-6-7-8-15-9-11-16(12-10-15)13-14(2)17-3/h9-12,14,17H,4-8,13H2,1-3H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.2485 kcal/mol

Physical Properties
Molecular Weight: 233.399 g/mol	logS: -4.56408	SlogP: 3.95974	Reactive groups: 0

Topological Properties
Globularity: 0.0430966	Sterimol/B1: 2.95452	Sterimol/B2: 3.21401	Sterimol/B3: 4.14463
Sterimol/B4: 4.95877	Sterimol/L: 18.3921

Surface and Volume Properties
Accessible surface: 552.798	Positive charged surface: 421.716	Negative charged surface: 131.082	Volume: 282.75
Hydrophobic surface: 493.047	Hydrophilic surface: 59.751

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

MMs03028377
PUBCHEM-ZINC03632916