MMsINC Database Search


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MMsINC code: MMs00629005

Type: Neutral
Formula: C₁₈H₂₉NO

SMILES:

O=C(N(CC(C)C)CC(C)C)c1ccc(cc1)C(C)C

InChI:

InChI=1/C18H29NO/c1-13(2)11-19(12-14(3)4)18(20)17-9-7-16(8-10-17)15(5)6/h7-10,13-15H,11-12H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.037 kcal/mol

Physical Properties
Molecular Weight: 275.436 g/mol	logS: -4.39088	SlogP: 4.5642	Reactive groups: 0

Topological Properties
Globularity: 0.0714433	Sterimol/B1: 2.40516	Sterimol/B2: 3.18191	Sterimol/B3: 3.99153
Sterimol/B4: 8.28927	Sterimol/L: 15.3323

Surface and Volume Properties
Accessible surface: 548.016	Positive charged surface: 372.594	Negative charged surface: 175.422	Volume: 309.25
Hydrophobic surface: 409.072	Hydrophilic surface: 138.944

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

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.