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MMsINC code: MMs00790650

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

OC(=O)c1ccc(NC(=O)CCC(=O)c2cc3Cc4c(-c3cc2)cccc4)cc1

InChI:

InChI=1/C24H19NO4/c26-22(11-12-23(27)25-19-8-5-15(6-9-19)24(28)29)17-7-10-21-18(14-17)13-16-3-1-2-4-20(16)21/h1-10,14H,11-13H2,(H,25,27)(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.126 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -6.31672	SlogP: 4.55757	Reactive groups: 0

Topological Properties
Globularity: 0.00780678	Sterimol/B1: 2.63214	Sterimol/B2: 2.78975	Sterimol/B3: 3.56899
Sterimol/B4: 5.58018	Sterimol/L: 22.9496

Surface and Volume Properties
Accessible surface: 674.613	Positive charged surface: 386.179	Negative charged surface: 277.441	Volume: 366.125
Hydrophobic surface: 503.94	Hydrophilic surface: 170.673

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00790651
CHEMBRIDGE-ZINC04815957