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MMsINC code: MMs02718582

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

OC(=O)c1ccccc1C(=O)N(C(C)c1ccccc1)C(C)c1ccccc1

InChI:

InChI=1/C24H23NO3/c1-17(19-11-5-3-6-12-19)25(18(2)20-13-7-4-8-14-20)23(26)21-15-9-10-16-22(21)24(27)28/h3-18H,1-2H3,(H,27,28)/t17-,18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.774 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.58464	SlogP: 5.5404	Reactive groups: 0

Topological Properties
Globularity: 0.366145	Sterimol/B1: 2.4149	Sterimol/B2: 5.43248	Sterimol/B3: 7.01224
Sterimol/B4: 7.01594	Sterimol/L: 13.9624

Surface and Volume Properties
Accessible surface: 599.999	Positive charged surface: 334.525	Negative charged surface: 265.474	Volume: 372.125
Hydrophobic surface: 494.059	Hydrophilic surface: 105.94

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02718583
PUBCHEM-ZINC00641888