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MMsINC code: MMs02400029

Type: Neutral
Formula: C₂₃H₂₇NO₂

SMILES:

O(C(C=C)CN1CCCCC1)C(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H27NO2/c1-2-21(18-24-16-10-5-11-17-24)26-23(25)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h2-4,6-9,12-15,21-22H,1,5,10-11,16-18H2/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.085 kcal/mol

Physical Properties
Molecular Weight: 349.474 g/mol	logS: -4.61881	SlogP: 4.4022	Reactive groups: 0

Topological Properties
Globularity: 0.210232	Sterimol/B1: 2.57327	Sterimol/B2: 2.79116	Sterimol/B3: 7.18103
Sterimol/B4: 8.69637	Sterimol/L: 14.0843

Surface and Volume Properties
Accessible surface: 635.765	Positive charged surface: 423.054	Negative charged surface: 212.711	Volume: 367.375
Hydrophobic surface: 588.122	Hydrophilic surface: 47.643

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02400030
NCID-ZINC04747907