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MMsINC code: MMs03102174

Type: Neutral
Formula: C₂₄H₂₇NO₂

SMILES:

O(C(=O)C1c2c(CCc3c1cccc3)cccc2)C1CC2N(C(C1)CC2)C

InChI:

InChI=1/C24H27NO2/c1-25-18-12-13-19(25)15-20(14-18)27-24(26)23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=215.285 kcal/mol

Physical Properties
Molecular Weight: 361.485 g/mol	logS: -5.31899	SlogP: 4.08544	Reactive groups: 0

Topological Properties
Globularity: 0.088013	Sterimol/B1: 3.26198	Sterimol/B2: 4.39164	Sterimol/B3: 5.77355
Sterimol/B4: 6.3273	Sterimol/L: 15.111

Surface and Volume Properties
Accessible surface: 572.69	Positive charged surface: 394.722	Negative charged surface: 177.969	Volume: 360.375
Hydrophobic surface: 553.076	Hydrophilic surface: 19.614

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03102175
PUBCHEM-ZINC04215491