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MMsINC code: MMs03068935

Type: Neutral
Formula: C₂₄H₂₁NO₃

SMILES:

O(Cc1ccccc1)c1cc(C)c(cc1-c1cn2c(C=CC=C2)c1C(O)=O)C

InChI:

InChI=1/C24H21NO3/c1-16-12-19(20-14-25-11-7-6-10-21(25)23(20)24(26)27)22(13-17(16)2)28-15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.325 kcal/mol

Physical Properties
Molecular Weight: 371.436 g/mol	logS: -5.93772	SlogP: 5.81304	Reactive groups: 0

Topological Properties
Globularity: 0.165692	Sterimol/B1: 4.10747	Sterimol/B2: 4.82765	Sterimol/B3: 5.08423
Sterimol/B4: 7.67049	Sterimol/L: 13.6746

Surface and Volume Properties
Accessible surface: 642.478	Positive charged surface: 359.356	Negative charged surface: 283.122	Volume: 366.375
Hydrophobic surface: 562.121	Hydrophilic surface: 80.357

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs03068936
PUBCHEM-ZINC03748467