MMsINC Database Search


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MMsINC code: MMs00288085

Type: Neutral
Formula: C₂₃H₂₉NO

SMILES:

O=C(N(C1CCCCC1)C1CCCCC1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C23H29NO/c25-23(22-17-9-11-18-10-7-8-16-21(18)22)24(19-12-3-1-4-13-19)20-14-5-2-6-15-20/h7-11,16-17,19-20H,1-6,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=338.711 kcal/mol

Physical Properties
Molecular Weight: 335.491 g/mol	logS: -6.24518	SlogP: 5.9474	Reactive groups: 0

Topological Properties
Globularity: 0.152578	Sterimol/B1: 2.47927	Sterimol/B2: 3.74182	Sterimol/B3: 3.8305
Sterimol/B4: 10.5021	Sterimol/L: 13.6292

Surface and Volume Properties
Accessible surface: 564.287	Positive charged surface: 381.355	Negative charged surface: 172.826	Volume: 348.25
Hydrophobic surface: 552.706	Hydrophilic surface: 11.581

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.