MMsINC Database Search


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MMsINC code: MMs02903263

Type: Neutral
Formula: C₁₈H₂₉N

SMILES:

Nc1ccc(cc1)C1CCC(CC1)CCCCCC

InChI:

InChI=1/C18H29N/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h11-16H,2-10,19H2,1H3/t15-,16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.1005 kcal/mol

Physical Properties
Molecular Weight: 259.437 g/mol	logS: -7.14506	SlogP: 5.513	Reactive groups: 0

Topological Properties
Globularity: 0.0435225	Sterimol/B1: 2.12281	Sterimol/B2: 3.27123	Sterimol/B3: 3.44514
Sterimol/B4: 5.36339	Sterimol/L: 19.7799

Surface and Volume Properties
Accessible surface: 567.478	Positive charged surface: 437.672	Negative charged surface: 129.806	Volume: 300.75
Hydrophobic surface: 482.794	Hydrophilic surface: 84.684

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

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Ions/Tautomers related molecules: no related molecules available.